Cas no 17264-88-9 (3-Chlorobenzoic acid sodium salt)

3-Chlorobenzoic acid sodium salt is a white to off-white crystalline powder with the molecular formula C?H?ClO?Na. It is the sodium salt derivative of 3-chlorobenzoic acid, offering improved solubility in water and polar solvents compared to its free acid form. This compound is commonly used as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its stability and ease of handling make it suitable for laboratory and industrial processes. The presence of the chloro substituent enhances its reactivity in electrophilic and nucleophilic substitution reactions, facilitating the synthesis of more complex aromatic compounds. Proper storage in a cool, dry environment is recommended to maintain its integrity.
3-Chlorobenzoic acid sodium salt structure
17264-88-9 structure
Product Name:3-Chlorobenzoic acid sodium salt
CAS No:17264-88-9
MF:C7H4ClNaO2
MW:178.548232078552
MDL:MFCD08059569
CID:134535
PubChem ID:23663901
Update Time:2025-06-13

3-Chlorobenzoic acid sodium salt Chemical and Physical Properties

Names and Identifiers

    • 3-Chlorobenzoic acid sodium salt
    • SODIUM 3-CHLOROBENZOATE
    • m-chlorobenzoic acid,sodium salt
    • m-chloro-sodium benzoate
    • Natrium-m-chlorbenzoat
    • sodium 3-chlorobenzoic acid
    • sodium m-chlorobenzoate
    • sodium meta-chlorobenzoate
    • Benzoic acid, 3-chloro-, sodiuM salt
    • AKOS015911970
    • 17264-88-9
    • A907546
    • SCHEMBL5465362
    • CS-0362625
    • I11436
    • Benzoic acid,3-chloro-,sodium salt(1:1)
    • DTXSID20635393
    • sodium;3-chlorobenzoate
    • Benzoic acid, 3-chloro-, sodium salt (1:1)
    • FUEXXBRYIMMSRF-UHFFFAOYSA-M
    • DB-361544
    • MDL: MFCD08059569
    • Inchi: 1S/C7H5ClO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
    • InChI Key: FUEXXBRYIMMSRF-UHFFFAOYSA-M
    • SMILES: ClC1=CC=CC(C(=O)[O-])=C1.[Na+]

Computed Properties

  • Exact Mass: 177.98000
  • Monoisotopic Mass: 177.9797513g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 140
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.1?2

Experimental Properties

  • Boiling Point: 281.3 °C at 760 mmHg
  • Flash Point: 123.9 °C
  • PSA: 40.13000
  • LogP: 0.70350

3-Chlorobenzoic acid sodium salt Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Chlorobenzoic acid sodium salt Pricemore >>

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3-Chlorobenzoic acid sodium salt Related Literature

Additional information on 3-Chlorobenzoic acid sodium salt

Introduction to 3-Chlorobenzoic acid sodium salt (CAS No: 17264-88-9)

3-Chlorobenzoic acid sodium salt, identified by the Chemical Abstracts Service Number (CAS No) 17264-88-9, is a significant compound in the field of pharmaceutical and chemical research. This compound, a sodium salt derivative of 3-chlorobenzoic acid, has garnered attention due to its versatile applications in synthetic chemistry, medicinal chemistry, and material science. The introduction of the chloro substituent at the para position of benzoic acid introduces unique reactivity and functional properties, making it a valuable intermediate in the synthesis of various bioactive molecules.

The structural features of 3-Chlorobenzoic acid sodium salt contribute to its utility in multiple domains. As a benzoic acid derivative, it possesses a carboxyl group that can participate in esterification, amidation, and other condensation reactions, facilitating the construction of complex molecular architectures. The presence of a chlorine atom at the third position enhances electrophilicity, enabling electrophilic aromatic substitution reactions that are pivotal in organic synthesis. These characteristics make it a preferred building block for designing novel compounds with potential pharmacological activities.

In recent years, there has been growing interest in exploring the pharmacological potential of benzoic acid derivatives. Studies have demonstrated that modifications at the aromatic ring can significantly influence biological activity. For instance, derivatives of 3-chlorobenzoic acid have been investigated for their antimicrobial, anti-inflammatory, and antioxidant properties. The sodium salt form enhances solubility and stability, making it more suitable for biological assays and pharmaceutical formulations. Researchers have leveraged this compound to develop new therapeutic agents targeting various diseases.

The synthesis of 3-Chlorobenzoic acid sodium salt typically involves the chlorination of benzoic acid followed by neutralization with sodium hydroxide. This process yields high-purity material that is essential for sensitive applications such as drug development. Advances in synthetic methodologies have improved the efficiency and scalability of production, ensuring that researchers have access to sufficient quantities for their studies. The compound's well-documented synthetic routes and characterized properties make it a reliable choice for both academic and industrial applications.

One notable area where 3-Chlorobenzoic acid sodium salt has made significant contributions is in the development of organic electronic materials. The conjugated system present in benzoic acid derivatives allows for applications in optoelectronic devices such as organic light-emitting diodes (OLEDs) and photovoltaics. The chlorine substituent can further tune electronic properties, influencing charge transport mechanisms. Researchers have utilized this compound to design novel materials with enhanced performance characteristics, demonstrating its versatility beyond traditional pharmaceutical applications.

The role of 3-Chlorobenzoic acid sodium salt in drug discovery has been further highlighted by recent studies exploring its derivatives as potential therapeutic agents. For example, researchers have synthesized analogs of 3-chlorobenzoic acid targeting enzyme inhibition pathways implicated in neurological disorders. Preliminary findings suggest promising activity in preclinical models, warranting further investigation into its therapeutic potential. The ease with which this compound can be modified underscores its importance as a scaffold for medicinal chemistry innovation.

In conclusion, 3-Chlorobenzoic acid sodium salt (CAS No: 17264-88-9) is a multifaceted compound with broad applications across pharmaceuticals, materials science, and synthetic chemistry. Its unique structural features enable diverse chemical transformations and biological activities, making it an indispensable tool for researchers seeking to develop novel compounds. As advancements continue to emerge in drug discovery and material science, the significance of this compound is expected to grow further.

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