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COO原产地证书/COA分析证书

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安全和法规

424315

3-(氯甲基)苯甲酸

Name: 3-(氯甲基)苯甲酸
Brand: ALDRICH

97%

别名:

间氯甲基苯甲酸

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About This Item

线性分子式:

ClCH₂C₆H₄CO₂H

CAS号:

31719-77-4

分子量:

170.59

Beilstein:

637114

MDL编号:

MFCD00191922

UNSPSC代码:

12352100

PubChem化学物质编号:

24866564

NACRES:

NA.22

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质量水平

100

方案

97%

mp

136-138 °C (lit.)

溶解性

methanol: soluble 20 mg/mL, clear

官能团

carboxylic acid
chloro

SMILES字符串

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 key

PBSUMBYSVFTMNG-UHFFFAOYSA-N

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一般描述

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.