424315

3-(氯甲基)苯甲酸

97%

• 同義詞: 间氯甲基苯甲酸
• 線性公式: ClCH₂C₆H₄CO₂H
• CAS號碼: 31719-77-4
• 分子量：: 170.59
• Beilstein: 637114
• MDL號碼: MFCD00191922
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24866564
• NACRES: NA.22

屬性

• 品質等級: 100
• 化驗: 97%
• mp: 136-138 °C (lit.)
• 溶解度: methanol: soluble 20 mg/mL, clear
• SMILES 字串: 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 密鑰: PBSUMBYSVFTMNG-UHFFFAOYSA-N

描述

一般說明

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.

安全資訊

• 象形圖: GHS05,GHS07
• 訊號詞: Danger
• 危險聲明: H302 + H312 + H332,H314
• 防範說明: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 危險分類: Acute Tox. 4 Oral - Skin Corr. 1B
• 儲存類別代碼: 8A - Combustible corrosive hazardous materials
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges