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化合物简介
3-Bromobenzoic Acid Methyl Ester is an halogenated benzoate derivative used as a reagent in organic synthesis. 3-Bromobenzoic Acid Methyl Ester is used in the synthesis of a novel series of tetrahydrodibenzazocine as inhibitors of 17β-hydroxysteroid dehydrogenase type 3.
基本信息
CAS:618-89-3
中文别名:甲基3-溴苯甲酸酯;间溴苯甲酸甲酯;
英文别名:3-methoxycarbonyl-1-bromobenzene;Benzoic acid, 3-bromo-, methyl ester;Benzoic acid,3-bromo-,methyl ester;(3-bromophenyl)acetic acid methyl ester;m-bromobenzoic acid methyl ester;methyl-3-bromobenzoate;Methyl m-bromobenzoate;3-MeO2CC6H4Br;3-Bromobenzoic acid,methyl ester;
分子式:C8H7BrO2
分子量:215.044
精确质量:213.963
Psa:26.3
Logp:2.2357
中文别名:甲基3-溴苯甲酸酯;间溴苯甲酸甲酯;
英文别名:3-methoxycarbonyl-1-bromobenzene;Benzoic acid, 3-bromo-, methyl ester;Benzoic acid,3-bromo-,methyl ester;(3-bromophenyl)acetic acid methyl ester;m-bromobenzoic acid methyl ester;methyl-3-bromobenzoate;Methyl m-bromobenzoate;3-MeO2CC6H4Br;3-Bromobenzoic acid,methyl ester;
分子式:C8H7BrO2
分子量:215.044
精确质量:213.963
Psa:26.3
Logp:2.2357
编号系统
MDL号:MFCD00017777
物化性质
外观与性状:淡黄色晶体
密度:1.498g/cm3
沸点:127-128°C15mm Hg(lit.)
熔点:31-33°C(lit.)
闪点:>230°F
折射率:1.5575
储存条件:Store in a cool, dry place. Store in a tightly closed container.
密度:1.498g/cm3
沸点:127-128°C15mm Hg(lit.)
熔点:31-33°C(lit.)
闪点:>230°F
折射率:1.5575
储存条件:Store in a cool, dry place. Store in a tightly closed container.
安全信息
安全说明:S37/39-S26
危险类别码:R36/37/38
WGK Germany:3
海关编码:2916399090
危险品标志:Xi
危险类别码:R36/37/38
WGK Germany:3
海关编码:2916399090
危险品标志:Xi
生产方法及用途
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

Raman : 4880 A,200 M,liquid

IR : KBr disc

IR : liquid film

IR : CCl4 solution

IR : nujol mull
