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
• Beilstein: 637114
• MDL number: MFCD00191922
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866564
• NACRES: NA.22

Properties

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

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.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332 - H314
• Precautionary Statements: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Skin Corr. 1B
• Storage Class Code: 8A - Combustible, corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves