135585

4-Chlorobenzoic acid

99%

• Synonym(s): 4-CBA, p-Chlorobenzoic acid
• Linear Formula: ClC₆H₄CO₂H
• CAS Number: 74-11-3
• Molecular Weight: 156.57
• Beilstein/REAXYS Number: 907196
• EC Number: 200-805-9
• MDL number: MFCD00002531
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848211
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: powder
• mp: 238-241 °C (lit.)
• solubility: methanol: soluble 1%, clear, colorless to faintly yellow
• functional group: carboxylic acid; chloro
• SMILES string: OC(=O)c1ccc(Cl)cc1
• InChI: 1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
• InChI key: XRHGYUZYPHTUJZ-UHFFFAOYSA-N

Description

General description

4-Chlorobenzoic acid is a degradation product of indomethacin. It is degraded by Acinetobacter sp. strain ST-1 and causes its dehalogenation to yield 4-hydroxybenzoic acid under both aerobic and anaerobic conditions.

Application

4-Chlorobenzoic acid can be used:

• As a ligand to synthesize luminescent lanthanide complexes for bio-labeling or fiber communication applications.
• To prepare organotin(IV) chlorobenzoates exhibiting anticorrosion properties.
• As a ligand to synthesize di-n-butyl(4-chlorobenzoxy)(4-chlorobenzohydroxamato)tin(IV).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: 460.4 °F - closed cup
• flash_point_c: 238 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves