Cas no 528-46-1 (Benzeneacetic acid,2-carboxy-a-oxo-)

Benzeneacetic acid, 2-carboxy-α-oxo-, is a dicarboxylic acid derivative with a ketone functional group adjacent to the benzene ring. This compound is of interest in organic synthesis due to its reactive α-keto acid moiety, which facilitates various condensation and decarboxylation reactions. Its structure makes it a versatile intermediate for pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both carboxyl and carbonyl groups allows for selective functionalization, enabling precise modifications in complex molecular frameworks. High purity grades ensure consistent performance in research and industrial applications. Proper handling is advised due to potential reactivity under certain conditions.
Benzeneacetic acid,2-carboxy-a-oxo- structure
528-46-1 structure
Product Name:Benzeneacetic acid,2-carboxy-a-oxo-
CAS No:528-46-1
MF:C9H6O5
MW:194.140943050385
MDL:MFCD00090830
CID:372326
PubChem ID:10710
Update Time:2025-05-25

Benzeneacetic acid,2-carboxy-a-oxo- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,2-carboxy-a-oxo-
    • 2-(CARBOXYCARBONYL)BENZOIC ACID
    • phthalonic acid
    • 2-oxalobenzoic acid
    • AKOS000321457
    • CS-0322976
    • D85948
    • FT-0657455
    • 528-46-1
    • 2-Carboxy-alpha-oxobenzeneacetic acid
    • NS00067095
    • MFCD00090830
    • 2-(carboxycarbonyl)benzoicacid
    • 2-oxalo-benzoic acid
    • CHEMBL300586
    • WS-01222
    • Phthalonsaure
    • BDBM50102181
    • SCHEMBL240838
    • BB 0241847
    • A829278
    • DTXSID10200776
    • SY276744
    • 2-Oxalyl-benzoic acid
    • STK505512
    • DTXCID40123267
    • MDL: MFCD00090830
    • Inchi: 1S/C9H6O5/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,11,12)(H,13,14)
    • InChI Key: LFLOMAIEONDOLV-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC=CC=1C(C(=O)O)=O)=O

Computed Properties

  • Exact Mass: 194.02200
  • Monoisotopic Mass: 194.021523
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 91.7

Experimental Properties

  • Density: 1.4178 (rough estimate)
  • Boiling Point: 290.57°C (rough estimate)
  • Flash Point: 213.6°C
  • Refractive Index: 1.4717 (estimate)
  • PSA: 91.67000
  • LogP: 0.65210

Benzeneacetic acid,2-carboxy-a-oxo- Security Information

  • HazardClass:IRRITANT

Benzeneacetic acid,2-carboxy-a-oxo- Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Benzeneacetic acid,2-carboxy-a-oxo- Production Method

Benzeneacetic acid,2-carboxy-a-oxo- Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:528-46-1)Benzeneacetic acid,2-carboxy-a-oxo-
Order Number:A829278
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:11
Price ($):609.0

Additional information on Benzeneacetic acid,2-carboxy-a-oxo-

Comprehensive Analysis of Benzeneacetic acid,2-carboxy-a-oxo- (CAS No. 528-46-1)

Benzeneacetic acid,2-carboxy-a-oxo- (CAS No. 528-46-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, also referred to as 2-carboxy-α-oxobenzeneacetic acid, is a derivative of benzeneacetic acid, featuring unique functional groups that make it valuable in synthetic chemistry and drug development. Its molecular structure includes a carboxyl group and a keto group, which contribute to its reactivity and potential applications in various industries.

In recent years, the demand for Benzeneacetic acid,2-carboxy-a-oxo- has increased due to its role as an intermediate in the synthesis of active pharmaceutical ingredients (APIs). Researchers are particularly interested in its potential to form biocompatible polymers and chelating agents, which are critical in medical imaging and targeted drug delivery systems. The compound’s ability to act as a ligand in metal-organic frameworks (MOFs) has also made it a subject of study in materials science, where MOFs are used for gas storage and catalysis.

One of the most frequently asked questions about Benzeneacetic acid,2-carboxy-a-oxo- is its stability under different environmental conditions. Studies indicate that the compound exhibits moderate stability in aqueous solutions but may degrade under prolonged exposure to UV light or extreme pH levels. This property is crucial for industries that require long-term storage or transportation of the compound. Additionally, its solubility profile in organic solvents like ethanol and dimethyl sulfoxide (DMSO) makes it a versatile candidate for laboratory applications.

The synthesis of Benzeneacetic acid,2-carboxy-a-oxo- typically involves the oxidation of substituted benzene derivatives or the hydrolysis of corresponding esters. Modern green chemistry approaches are being explored to optimize its production, reducing waste and energy consumption. This aligns with the growing trend of sustainable chemical manufacturing, a topic highly searched in academic and industrial circles. Researchers are also investigating enzymatic pathways to produce the compound, which could offer a more eco-friendly alternative to traditional methods.

Another hot topic related to Benzeneacetic acid,2-carboxy-a-oxo- is its potential role in cosmeceuticals. Preliminary studies suggest that its derivatives may exhibit antioxidant properties, making it a candidate for anti-aging formulations. This has sparked interest in the cosmetic industry, where natural and synthetic antioxidants are in high demand. However, further clinical trials are needed to validate its efficacy and safety for topical applications.

From a regulatory perspective, Benzeneacetic acid,2-carboxy-a-oxo- is not classified as a hazardous substance under major global safety standards, which facilitates its use in research and industrial settings. Nonetheless, proper handling protocols, including the use of personal protective equipment (PPE), are recommended to minimize risks associated with accidental exposure. This aspect is often highlighted in safety data sheets (SDS) and is a common query among laboratory personnel.

In conclusion, Benzeneacetic acid,2-carboxy-a-oxo- (CAS No. 528-46-1) is a multifaceted compound with promising applications in pharmaceuticals, materials science, and cosmetics. Its unique chemical properties and compatibility with green synthesis methods position it as a compound of interest for future innovations. As research continues, its potential to address challenges in drug delivery, sustainable chemistry, and skincare will likely expand, making it a key focus for scientists and industry professionals alike.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:528-46-1)Benzeneacetic acid,2-carboxy-a-oxo-
A829278
Purity:99%
Quantity:1g
Price ($):609.0
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