424315

3-(Chloromethyl)benzoic acid

97%

• Synonym(s): α-Chloro-m-toluic acid
• Linear Formula: ClCH₂C₆H₄CO₂H
• CAS Number: 31719-77-4
• Molecular Weight: 170.59
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24866564
• MDL number: MFCD00191922
• Beilstein/REAXYS Number: 637114

Properties

• Product Name: 3-(Chloromethyl)benzoic acid, 97%
• InChI: 1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
• SMILES string: OC(=O)c1cccc(CCl)c1
• InChI key: PBSUMBYSVFTMNG-UHFFFAOYSA-N
• assay: 97%
• mp: 136-138 °C (lit.)
• solubility: methanol: soluble 20 mg/mL, clear
• functional group: carboxylic acid; chloro
• Quality Level: 100

Description

General description

3-(Chloromethyl)benzoic acid (m-Chloromethylbenzoic acid) is a meta-substituted benzoic acid derivative. Correlations between Hammett substituent constants and calculated dipole moments and molecular transform and normalized molecular moment structure indices for m-chloromethylbenzoic acid was investigated. Hammett constants were observed to be linearly related only to the normalized charge moment index.[1]

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H314
• pcodes: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges