PHTALALDEHYDE

Phthalaldehyde is a reagent in the analysis of amino acids and involved in the synthesis of heterocyclic compounds. 

Phthalaldehyde (sometimes also o-phthalaldehyde or ortho-phthalaldehyde, OPA) is the chemical compound with the formula C6H4(CHO)2. 

Phthalaldehyde is one of three isomers of benzene dicarbaldehyde, related to phthalic acid. 

CAS Number: 643-79-8

EC Number: 211-402-2

Molecular Formula: C8H6O2

Molecular Weight (g/mol): 134.13

Synonyms: o-Phthalaldehyde, 643-79-8, PHTHALALDEHYDE, o-Phthaldialdehyde, Benzene-1,2-dicarboxaldehyde, 1,2-Benzenedicarboxaldehyde, Phthaldialdehyde, Phthalic aldehyde, Phthalic dialdehyde, ortho-Phthalaldehyde, Phthalyldicarboxaldehyde, benzene-1,2-dicarbaldehyde, Phthalic dicarboxaldehyde, o-Phthaldehyde, Phthalaldialdehyde, 2-PHTHALALDEHYDE, o-Phthalicdicarboxaldehyde, 1,2-Diformylbenzene, o-Phthalic dicarboxaldehyde, ortho Phthalaldehyde, o-phthalaldehyde, o-phthaldialdehyde, benzene-1,2-dicarboxaldehyde, 1,2-benzenedicarboxaldehyde, phthaldialdehyde, phthalic aldehyde, phthalic dialdehyde, phthalyldicarboxaldehyde, ortho-phthalaldehyde, o-phthaldehyde, OPA, OPTA, 1,2-BENZENEDICARBALDEHYDE, orthophthalaldehyde, NSC 13394, CHEBI:70851, 4P8QP9768A, Phtharal (JAN), NSC-13394, NCGC00166206-01, PHTHARAL [JAN], 1,2-Phthalic dicarboxaldehyde, 25750-62-3, Phtalaldehydes, Phtalaldehydes [French], CAS-643-79-8, 2-PHTHALDIALDEHYDE, EINECS 211-402-2, MFCD00003335, BRN 0878317, phthalaldehyd, phtharal, Disopa, o-Phthalaldehyd, UNII-4P8QP9768A, o-phthal aldehyde, Disopa (TN), ortho-phthaldialdehyde, o-Phthalaldehyde-[d6], Epitope ID:176774, 2-Phthaldehyde, High purity, SCHEMBL33393, Benzene-1,2-dicarboxakdehyde, 4-07-00-02138 (Beilstein Handbook Reference), O-PHTHALALDEHYDE [MI], CHEMBL160145, Ortho-Phthalic Aldehyde (OPA), DTXSID6032514, HSDB 8456, ORTHOPHTHALALDEHYDE [VANDF], O-PHTHALDIALDEHYDE [MART.], BCP29465, NSC13394, STR01056, ZINC1729594, Tox21_112347, Tox21_300404, 1,2-Benzenedialdehyde;Phthalaldehyde, BBL027435, STK802214, AKOS000119186, Tox21_112347_1, CS-W013385, NCGC00166206-02, NCGC00166206-04, NCGC00254339-01, AC-10388, AM20050101, FT-0632732, P0280, EN300-21268, 43P798, D03470, P-6600, SR-01000944839, Q5933776, SR-01000944839-1, Phthaldialdehyde, for fluorescence, >=99.0% (HPLC), Z104494958, 6-Oxomethylene-5-[(E)-hydroxymethylene]cyclohexa-1,3-diene, 6-Oxomethylene-5-[(Z)-hydroxymethylene]cyclohexa-1,3-diene, Phthaldialdehyde, >=97% (HPLC), powder (may contain lumps), ortho-Phthalaldehyde, 1,2-Benzenedicarboxaldehyde [ACD/Index Name], 211-402-2 [EINECS], 4-07-00-02138 (Beilstein Handbook Reference) [Beilstein], 643-79-8 [RN], Benzene-1,2-dicarbaldehyde [ACD/IUPAC Name], Benzene-1,2-dicarboxaldehyde [ACD/IUPAC Name], Benzol-1,2-dicarbaldehyd [German], o-Phthalaldehyde, o-Phthaldialdehyde, Phtalaldéhyde [French] [ACD/IUPAC Name], Phthalaldehyd [German] [ACD/IUPAC Name], Phthalaldehyde [ACD/IUPAC Name], Phthaldialdehyde, VHR BVH [WLN], [643-79-8] [RN], o-phthalaldehyde, o-phthaldialdehyde, o-phthalicdicarboxaldehyde, 1, 2-Phthalic dicarboxaldehyde, 1,2-Diformylbenzene, 25750-62-3 [RN], 4P8QP9768A, 68234-47-9 [RN], BR-44048, CHEBI 70851, D03470, Disopa, Disopa (TN), MFCD00003335 [MDL number], NCGC00166206-01, OPA, OPTA, P-6600, Phtalaldehydes [French], Phthalic dicarboxaldehyde, Phthalyldicarboxaldehyde, Phtharal, Phtharal (JAN), SBB008450, SS-7380, STR01056, TH6950000 [RTECS], UNII-4P8QP9768A 

This pale yellow solid is a building block in the synthesis of heterocyclic compounds and a reagent in the analysis of amino acids. 

Phthalaldehyde dissolves in water solution at pH < 11.5.  Phthalaldehyde solutions degrade upon UV illumination and exposure to air. Phthalaldehyde is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 10 to < 100 tonnes per annum. Phthalaldehyde is used by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing. Phthalaldehyde is a reagent in the analysis of amino acids and involved in the synthesis of heterocyclic compounds.  Phthalaldehyde is a reagent that forms fluorescent conjugation products with primary amines.  Phthalaldehyde is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids. Phthalaldehyde, also o-phthalaldehyde or ortho-phthalaldehyde or OPA, is the chemical compound with the formula C6H4(CHO)2.  Phthalaldehyde is one of three isomers of benzene dicarbaldehyde.  Phthalaldehyde is commonly used as a high-level disinfectant for medical instruments, as a polymerizer as well as in certain methods of wine making. Phthalaldehyde is the chemical compound with the formula C6H4(CHO)2.  Often abbreviated Phthalaldehyde, the molecule is a dialdehyde, consisting of two formyl (CHO) groups attached to adjacent carbon centres on a benzene ring.  This pale yellow solid is a building block in the synthesis of heterocyclic compounds and a reagent in the analysis of amino acids. Phthalaldehyde is a chemical reagent that forms fluorescent conjugation products with primary amines.  Phthalaldehyde is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids.  Phthalaldehyde is approved by FDA for use in test systems to detect blood urea nitrogen (BUN) for the diagnosis and treatment of certain renal and metabolic diseases.  Phthalaldehyde is also a known desinfectant and has been approved for high-level sterilization of heat-sensitive medical instruments and is increasingly being used as a replacement in the healthcare industry for glutaraldehyde.  Phthalaldehyde has also been approved for use as an indoor antimicrobial pesticide. Phthalaldehyde is an intermediate for the synthesis of pharmaceuticals, medicines, and other organic compounds. Phthalaldehyde is a dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring.  Phthalaldehyde has a role as an epitope.  Phthalaldehyde is a dialdehyde and a member of benzaldehydes. Phthalaldehyde-amine reaction and Phthalaldehyde-amine-thiol reaction have been developed to effectively modify native peptides and proteins under the physiological conditions.  Phthalaldehyde and its derivatives can rapidly and smoothly react with primary amine moieties in peptides and proteins to achieve native protein biconjugations.  Furthermore, Phthalaldehyde-alkyne bifunctional linkers can be used for proteome profiling.  Phthalaldehyde-amine-thiol three-component reaction has been developed for chemoselective peptide cyclization, directly on unprotected peptides in the aqueous buffer.  Moreover, this Phthalaldehyde-guided cyclic peptide can be further modified with the N-maleimide moiety in one pot to introduce additional functionalities.  Phthalaldehyde (sometimes also o-phthalaldehyde or ortho-phthalaldehyde, OPA) is the chemical compound with the formula C6H4(CHO)2.  Phthalaldehyde is one of three isomers of benzene dicarbaldehyde, related to phthalic acid.  Phthalaldehyde is mainly used as a high-level disinfectant (a low-temperature chemical method) for heat-sensitive medical and dental equipment such as endoscopes and thermometers. In recent years, Phthalaldehyde has gained popularity as a safe and better alternative to glutaraldehyde. There are some researches show, pH 7.5 contains the sterilizing agent of Phthalaldehyde 0.5%, and Phthalaldehyde sterilizing power, sterilization speed, stability and toxicity all are better than glutaraldehyde, can kill mycobacterium in the 5min, the bacterium number reduces by 5 logarithmic value, and Phthalaldehyde is very stable, tasteless in pH3～9 scopes, non-stimulated to human nose, eye mucosa, and need not activate before using, various materials are had good consistency, have tangible microbiocidal activity. The reactivity of Phthalaldehyde is complicated by the fact that in water Phthalaldehyde forms both a mono- and dihydrate, C6H4(CHO)(CH(OH)2) and C6H4(CH(OH))2O, respectively. Phthalaldehyde reactions with nucleophiles often involves the reaction of both carbonyl groups. Phthalaldehyde (sometimes also o-phthalaldehyde or ortho-phthalaldehyde, OPA) is the chemical compound with the formula C6H4(CHO)2.  Phthalaldehyde is one of three isomers of benzene dicarbaldehyde, related to phthalic acid.  This pale yellow solid is a building block in the synthesis of heterocyclic compounds and a reagent in the analysis of amino acids.  Phthalaldehyde dissolves in water solution at pH < 11.5.  Phthalaldehyde solutions degrade upon UV illumination and exposure to air. Fluoraldehyde Reagent Solution contains Phthalaldehyde (o-phthalaldehyde), which reacts with primary amines of amino acids, peptide and proteins to enable fluorescent detection and quantitation.  Phthalaldehyde is reagent that can be used as a protein or peptide assay reagent or as a pre- or post-column detection reagent for amino acid analysis (HPLC).  Reaction of Phthalaldehyde with proteins and peptides yields linear results over a wide range of concentrations.  Phthalaldehyde is fast and catalyst-free cross-linking strategy is of great significance for construction of covalently cross-linked hydrogels.  Here, we report the condensation reaction between Phthalaldehyde and N-nucleophiles (primary amine, hydrazide and aminooxy) for hydrogel formation for the first time.  When four-arm poly(ethylene glycol) (4aPEG) capped with Phthalaldehyde was mixed with various N-nucleophile-terminated 4aPEG as building blocks, hydrogels were formed with superfast gelation rate, higher mechanical strength and markedly lower critical gelation concentrations, compared to benzaldehyde-based counterparts. Small molecule model reactions indicate the key to these cross-links is the fast formation of heterocycle phthalimidine product or isoindole (bis)hemiaminal intermediates, depending on the N-nucleophiles.  The second-order rate constant for the formation of phthalimidine linkage (4.3 M−1 s−1) is over 3000 times and 200 times higher than those for acylhydrazone and oxime formation from benzaldehyde, respectively, and comparable to many cycloaddition click reactions.  Based on the versatile Phthalaldehyde chemistry, various hydrogels can be readily prepared from naturally derived polysaccharides, proteins or synthetic polymers without complicated chemical modification.  Moreover, biofunctionalit is facilely imparted to the hydrogels by introducing amine-bearing peptides via the reaction between Phthalaldehyde and amino group. Phthalaldehyde is a reagent that forms fluorescent conjugation products with primary amines.  Phthalaldehyde is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids. This is classified as a Dangerous Good for transport and may be subject to additional shipping charges. Phthalaldehyde can be polymerized.  In the polymer, one of the oxygen atoms forms a bridge to the other non-ring carbon of the same phthalaldehyde unit, while the other bridges to a non-ring carbon of another phthalaldehyde unit.  Poly(phthalaldehyde) is used in making a photoresist. Applications of Phthalaldehyde: Phthalaldehyde is used for precolumn derivatization of amino acids for HPLC separation and for flow cytometric measurements of protein thiol groups.  Phthalaldehyde is used for fluorometric determination of histamine, histidine and other amino acids.  Also used for cholesterol assay in the picomole range. Phthalaldehyde is a compound that reacts with primary amines to produce a product that emits a highly fluorescent blue colour.  Phthalaldehyde is used for the quick visualization of histamine, characterized by the appearance of a yellow stain. Analytical reagents in the chemical field:  As an amine alkaloid reagent, Phthalaldehyde is used for the determination of primary amines and peptide bond decomposition products by fluorescence method.  Organic synthesis: Phthalaldehyde is pharmaceutical intermediate. Phthalaldehyde is fluorescent reagent for separating amino acid derivatives by HPLC before column chromatography, and measuring thiol groups of proteins by flow cytometry. Uses of Phthalaldehyde: Phthalaldehyde is used as a disinfectant and in the fluorometric determination of primary amines and thiols. Phthalaldehyde is used to sterilize medical and dental equipment, as an enzyme inhibitor, indicator, chemical intermediate, diagnostic agent, tanning agent for leather, in water treatment, pulp and paper manufacturing, oil field water flooding, hair colorings, wood treatment, and antifouling paints. Phthalaldehyde is reagent used to synthesize fluorescent derivatives for chemical analyses. Reagent in fluorometric determination of primary amines and thiols. Phthalaldehyde in conjunction with 2-mercaptoethanol, is most often used in post-column detection of amino acids separated by conventional automated amino acid analysis. In winemaking: The Nitrogen by Phthaldialdehyde is one of the methods used in winemaking to measure yeast assimilable nitrogen (or YAN) needed by wine yeast in order to successfully complete fermentation. Biochemistry: Phthalaldehyde is used in a very sensitive fluorogenic reagent for assaying amines or sulfhydryls in solution, notably contained in proteins, peptides, and amino acids, by capillary electrophoresis and chromatography.  Phthalaldehyde reacts specifically with primary amines above their isoelectric point Pi in presence of thiols.  Phthalaldehyde reacts also with thiols in presence of an amine such as n-propylamine or 2-aminoethanol.  The method is spectrometric (fluorescent emission at 436-475 nm (max 455 nm) with excitation at 330-390 nm (max. 340 nm)). Widespread uses by professional workers: Phthalaldehyde is used in the following products: biocides (e.g. disinfectants, pest control products). Phthalaldehyde is used in the following areas: health services. Other release to the environment of Phthalaldehyde is likely to occur from: indoor use as processing aid and indoor use in close systems with minimal release (e.g. cooling liquids in refrigerators, oil-based electric heaters). Industrial Processes with risk of exposure: Petroleum Production and Refining Pulp and Paper Processing Painting (Pigments, Binders, and Biocides) Applying Wood Preservatives Using Disinfectants or Biocides Sterilizing Equipment Sewer and Wastewater Treatment Leather Tanning and Processing Dressing Hair Phthaldialdehyde has been used: In the preparation of Phthalaldehyde reagent for analysing gentamycin content In the preparation of reagent for determining the degree of hydrolysis of milk proteins In the measurement of free amino acids of milk samples by O-phthaldialdehyde/N-acetyl-L-cysteine (OPA/NAC) assay In the derivatization of putrescine samples For precolumn derivatization of amino acids for HPLC separation.  For flow cytometric measurements of protein thiol groups. Features of Fluoraldehyde Reagent Solution of Phthalaldehyde: Phthalaldehyde is used for pre- or post-column amino acid derivatization for fluorescent detection and quantitation Phthalaldehyde is reacts with all primary amine-containing analytes to yield fluorescent isoindole derivatives Phthalaldehyde is provides an accurate measure of both composition and absolute protein-peptide content Phthalaldehyde is ideal for work with recombinant proteins and synthetic peptides Phthalaldehyde can be used for fluorescent protein or peptide assay Phthalaldehyde is pre-column derivatization mixtures can be injected into LC without any processing Synthesis and Reactions of Phthalaldehyde: The compound was first described in 1887 when Phthalaldehyde was prepared from α,α,α’,α’-tetrachloro-o-xylene. A more modern synthesis is similar: the hydrolysis of the related tetrabromo-o-xylene using potassium oxalate, followed by purification by steam distillation. The reactivity of Phthalaldehyde is complicated by the fact that in water Phthalaldehyde forms both a mono- and dihydrate, C6H4(CHO)(CH(OH)2) and C6H4(CH(OH))2O, respectively.  Phthalaldehyde reactions with nucleophiles often involves the reaction of both carbonyl groups. Preparation of Phthalaldehyde: Phthalaldehyde is a high-level chemical disinfectant that is commonly used for disinfection of dental and medical instruments as an alternative to glutaraldehyde, which is a known skin and respiratory sensitizer. A variety of processes for manufacturing Phthalaldehyde have been reported in the literature. Phthalaldehyde is produced by heating pure benzaldehyde and chloroform with potassium hydroxide solution.  The resulting solution is further acidified with hydrochloric acid and cooled to yield a colorless powder of Phthalaldehyde. Phthalaldehyde is also produced by ozonization of naphthalene in alcohol followed by catalytic hydrogenation. Catalytic oxidation of various chemicals is also used in manufacturing Phthalaldehyde.  Phthalaldehyde can be manufactured by oxidation of phthalan by nitrogen monoxide in acetonitrile with N-hydroxyphthalimide as the catalyst to yield 80% to 90%. Analytic Laboratory Methods of Phthalaldehyde: Three sampling and analytical methods have been developed and evaluated for Phthalaldehyde: An HPLC-UV method for Phthalaldehyde in air. A fluorimetric method for Phthalaldehyde on surfaces. A colorimetric method for Phthalaldehyde on surfaces.  The air sampler contains 350 mg of silica gel coated with 1 mg of acidified 2,4-dinitrophenylhydrazine (DNPH).  Air sampling may be conducted at 0.03 to 1.0 L/min for periods up to 8 hr. Samples were eluted with ethyl acetate, and the eluents were allowed to stand for 72 hr.  Analysis was by high performance liquid chromatography (HPLC) with a UV detector set at 369 nm.  An unusual phenomenon was the observation that the stability of the sample on a sampler at 3 degrees C tends to decrease as the total quantity of Phthalaldehyde collected on the sampler decreases.  Elution of the samples within 24 hr of air sampling is required.  The detection limit (LOD) is approximately 0.02 ug of Phthalaldehyde per sample.  Phthalaldehyde on surfaces may be collected with strips cut from a sheet of polyvinyl alcohol (PVA wipe). In the surface wipe method with analysis by fluorescence measurement, the strips of PVA wipe were placed into dimethyl sulfoxide.  An aliquot was treated with aqueous N-acetyl-l-cysteine and ethylenediamine.  Analysis was performed with a portable fluorometer (excitation and emission wavelengths = 365 nm and 438 nm, respectively).  The LOD is 0.2 ug per sample.  In the surface wipe method with visual colorimetric detection, the strips of PVA wipe were placed into 30:70 acetonitrile:water.  An aliquot was treated with N-(1-naphthyl)ethylenediamine in 0.1 m sulfuric acid.  After color development, the LOD is approximately 48 ug per sample.  These methods have been field tested in a hospital. Disinfection: Phthalaldehyde is commonly used as a high-level disinfectant for medical instruments, commonly sold. Disinfection with Phthalaldehyde is indicated for semi-critical instruments that come into contact with mucous membranes or broken skin, such as specula, laryngeal mirrors, and internal ultrasound probes. Poly(phthalaldehyde): Phthalaldehyde can be polymerized. In the polymer, one of the oxygen atoms forms a bridge to the other non-ring carbon of the same phthalaldehyde unit, while the other bridges to a non-ring carbon of another phthalaldehyde unit.  Poly(phthalaldehyde) is used in making a photoresist. MeSH Pharmacological Classification of Phthalaldehyde: Disinfectants: Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity.  Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms.  They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. Indicators and Reagents: Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions.  Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity.  Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis.  Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. Enzyme Inhibitors: Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Handling and Storage of Phthalaldehyde: Safe Storage: Separated from oxidants, amines, strong bases and food and feedstuffs.  Ventilation along the floor.  Store in an area without drain or sewer access.  Provision to contain effluent from fire extinguishing. Storage Conditions: Keep container tightly closed in a dry and well-ventilated place.  Recommended storage temperature 2-8 °C.  Store under inert gas.  Keep in a dry place.  Storage class (TRGS 510): Non-combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials. Accidental Release Measures of Phthalaldehyde: Spillage Disposal: Personal protection: Do NOT let this chemical enter the environment.  Vacuum with specialist equipment or carefully sweep into sealable containers.  Carefully collect remainder.  Then store and dispose of according to local regulations. Cleanup Methods: Personal precautions, protective equipment and emergency procedures:  Wear respiratory protection.  Avoid dust formation.  Avoid breathing vapors, mist or gas.  Ensure adequate ventilation.  Evacuate personnel to safe areas.  Avoid breathing dust.  Environmental precautions:  Prevent further leakage or spillage if safe to do so.  Do not let product enter drains.  Discharge into the environment must be avoided.  Methods and materials for containment and cleaning up:  Pick up and arrange disposal without creating dust.  Sweep up and shovel.  Keep in suitable, closed containers for disposal. Disposal Methods of Phthalaldehyde: Recycle any unused portion of the material for Phthalaldehyde approved use or return it to the manufacturer or supplier.  Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations.  If Phthalaldehyde is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Preventive Measures of Phthalaldehyde: Personal precautions, protective equipment and emergency procedures:  Wear respiratory protection.  Avoid dust formation.  Avoid breathing vapors, mist or gas.  Ensure adequate ventilation.  Evacuate personnel to safe areas.  Avoid breathing dust.  Environmental precautions:  Prevent further leakage or spillage if safe to do so.  Do not let Phthalaldehyde enter drains.  Discharge into the environment must be avoided. Precautions for safe handling:  Avoid contact with skin and eyes.  Avoid formation of dust and aerosols.  Further processing of solid materials may result in the formation of combustible dusts.  The potential for combustible dust formation should be taken into consideration before additional processing occurs.  Provide appropriate exhaust ventilation at places where dust is formed. Appropriate engineering controls:  Avoid contact with skin, eyes and clothing.  Wash hands before breaks and immediately after handling Phthalaldehyde. Gloves must be inspected prior to use.  Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with Phthalaldehyde.  Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.  Wash and dry hands. Safety of Phthalaldehyde: Signal Word: Danger Hazard Category: Acute toxicity Category 3 Skin corrosion/irritation Category 1 B Serious eye damage/eye irritation Category 1 Skin sensitiser Category 1 ACUTE AQUATIC Acute 1 Hazard Statement: H314-Causes severe skin burns and eye damage. H317-May cause an allergic skin reaction. H301-Toxic if swallowed. H400-Very toxic to aquatic life. Precautionary Statement: P280-Wear protective gloves/protective clothing/eye protection/face protection. P301+P330+P331-IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P302+P352-IF ON SKIN: Wash with plenty of water/. P305+P351+P338-IF IN EYES:  Rinse cautiously with water for several minutes.  Remove contact lenses, if present and easy to do.  Continue rinsing. P310-Immediately call a POISON CENTER/doctor/. P273-Avoid release to the environment. Identifiers of Phthalaldehyde: CAS Number: 643-79-8 ChEBI: CHEBI:70851 ChemSpider: 4642 ECHA InfoCard: 100.010.367 EC Number: 211-402-2 PubChem CID: 4807 RTECS number: TH6950000 UNII: 4P8QP9768A UN number: 2923 CompTox Dashboard (EPA): DTXSID6032514 InChI: InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H SMILES: O=Cc1ccccc1C=O CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-NShow Less PubChem CID: 4807 ChEBI: CHEBI:70851 SMILES: O=CC1=CC=CC=C1C=O Linear Formula: C6H4-1,2-(CHO)2 CAS No.: 643-79-8 Molecular Weight: 134.13 EC / List no.: 211-402-2 CAS no.: 643-79-8 Mol. formula: C8H6O2 Product Number: P0280 Purity / Analysis Method: >99.0%(GC)

Molecular Formula / Molecular Weight: C8H6O2 = 134.13 

Physical State (20 deg.C): Solid

Store Under Inert Gas: Store under inert gas

Condition to Avoid: Air Sensitive

CAS RN: 643-79-8

Reaxys Registry Number: 878317

PubChem Substance ID: 87574516

SDBS (AIST Spectral DB): 1434

Merck Index (14): 7368

MDL Number: MFCD00003335

Properties of Phthalaldehyde:

Chemical formula: C8H6O2

Molar mass: 134.134 g·mol−1

Appearance: Yellow solid

Density: 1.19 g/mL

Melting point: 55.5–56 °C (131.9–132.8 °F; 328.6–329.1 K)[2]

Boiling point: 266.1 °C (511.0 °F; 539.2 K)

Solubility in water: Low

Molecular Weight: 134.13

XLogP3: 1.2

Hydrogen Bond Donor Count: 0

Hydrogen Bond Acceptor Count: 2

Rotatable Bond Count: 2

Exact Mass: 134.036779430

Monoisotopic Mass: 134.036779430

Topological Polar Surface Area: 34.1 Ų

Heavy Atom Count: 10

Complexity: 115

Isotope Atom Count: 0

Defined Atom Stereocenter Count: 0

Undefined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Covalently-Bonded Unit Count: 1

Compound Is Canonicalized: Yes

Specifications of Phthalaldehyde:

Color: Yellow

Assay Percent Range: ≥98%

Quantity: 1 g

IUPAC Name: benzene-1,2-dicarbaldehyde

Formula Weight: 134.13

Percent Purity: 99.1%

Physical Form: Crystals

Chemical Name or Material: O-phthalaldehyde

Isomeric phthalaldehydes:

isophthalaldehyde (benzene-1,3-dicarbaldehyde)

terephthalaldehyde (benzene-1,4-dicarbaldehyde)

Names of Phthalaldehyde:

Regulatory process names:

o-Phthalaldehyde, vapor fraction

Phthalaldehyde

phthalaldehyde

IUPAC names:

Phthalaldehyde

1,2-Benzenedicarboxaldehyde

benzene-1,2-dicarbaldehyde

o-Phthalaldehyde

o-Phthalaldehyde [for HPLC Labeling]

Phthalaldehyde

phthalaldehyde

Phthaldialdehyd

Preferred IUPAC name

Benzene-1,2-dicarbaldehyde

Other names:

Benzene-1,2-dicarboxaldehyde

o-Phthalaldehyde

o-Phthalic dicarboxaldehyde

Phthaldialdehyde

Other identifier:

643-79-8

MeSH of Phthalaldehyde:

Aldehyde, ortho-Phthalic

o Phthalaldehyde

o Phthaldialdehyd

o-Phthalaldehyde

o-Phthaldialdehyde

ortho Phthalaldehyde

ortho Phthalic Aldehyde

ortho-Phthalaldehyde

ortho-Phthalic Aldehyde

Orthophthaldialdehyde