424315

3-(Chlormethyl)benzoesäure

97%

• Synonym(e): α-Chlor-m-toluylsäure
• Lineare Formel: ClCH₂C₆H₄CO₂H
• CAS-Nummer: 31719-77-4
• Molekulargewicht: 170.59
• Beilstein: 637114
• MDL-Nummer: MFCD00191922
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24866564
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 97%
• mp (Schmelzpunkt): 136-138 °C (lit.)
• Löslichkeit: methanol: soluble 20 mg/mL, clear
• Funktionelle Gruppe: carboxylic acid; chloro
• 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)
• InChIKey: PBSUMBYSVFTMNG-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Sicherheitshinweise

• Piktogramme: GHS05,GHS07
• Signalwort: Danger
• H-Sätze: H302 + H312 + H332,H314
• P-Sätze: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Gefahreneinstufungen: Acute Tox. 4 Oral - Skin Corr. 1B
• Lagerklassenschlüssel: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges