424315

3-(Chloromethyl)benzoic acid

97%

• 別名: α-Chloro-m-toluic acid
• 化学式: ClCH₂C₆H₄CO₂H
• CAS番号: 31719-77-4
• 分子量: 170.59
• Beilstein: 637114
• MDL番号: MFCD00191922
• UNSPSCコード: 12352100
• PubChem Substance ID: 24866564
• NACRES: NA.22

特性

• 品質水準: 100
• アッセイ: 97%
• mp: 136-138 °C (lit.)
• 溶解性: methanol: soluble 20 mg/mL, clear
• 官能基: carboxylic acid; chloro
• SMILES記法: 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

詳細

詳細

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.

安全性情報

• ピクトグラム: GHS05,GHS07
• シグナルワード: Danger
• 危険有害性情報: H302 + H312 + H332,H314
• 注意書き: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 4 Oral - Skin Corr. 1B
• 保管分類コード: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges