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化合物简介
3,4-Difluoro-benzoic Acid is a useful synthetic intermediate. It is used to synthesize 2-arylbenzimidazole derivatives as melanin-concentrating hormone receptor 1 (MCH-R1) antagonists.
基本信息
CAS:455-86-7
中文别名:
英文别名:qvr cf df;Benzoic acid,3,4-difluoro;3,4-Difluorobenzoic Acid;methyl-3,4-difluorobenzoate;3,4-Difluorobenzoicacid;3,4-fluorobenzoic acid;3,4-fifluorobenzoic acid;4,5-difluorobenzoic acid;3,4-Difluor-benzoesaeure;3,4-difluorophenylcarboxylic acid;3,4-difluorobenzoate;
分子式:C7H4F2O2
分子量:158.102
精确质量:158.018
Psa:37.3
Logp:1.663
中文别名:
英文别名:qvr cf df;Benzoic acid,3,4-difluoro;3,4-Difluorobenzoic Acid;methyl-3,4-difluorobenzoate;3,4-Difluorobenzoicacid;3,4-fluorobenzoic acid;3,4-fifluorobenzoic acid;4,5-difluorobenzoic acid;3,4-Difluor-benzoesaeure;3,4-difluorophenylcarboxylic acid;3,4-difluorobenzoate;
分子式:C7H4F2O2
分子量:158.102
精确质量:158.018
Psa:37.3
Logp:1.663
编号系统
MDL号:MFCD00011672
物化性质
外观与性状:白色至淡黄色晶体粉末
密度:1.432 g/cm3
沸点:257ºC at 760 mmHg
熔点:120-122°C(lit.)
闪点:109.2ºC
水溶解性:slightly soluble in cold water
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.00766mmHg at 25°C
密度:1.432 g/cm3
沸点:257ºC at 760 mmHg
熔点:120-122°C(lit.)
闪点:109.2ºC
水溶解性:slightly soluble in cold water
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.00766mmHg at 25°C
安全信息
安全说明:S26-S37/39
WGK Germany:3
危险类别码:R36/37/38
危险品运输编码:UN 2811
海关编码:2916399090
危险品标志:Xi
危险性描述:H302; H315; H319; H335
信号词:Warning
危险性防范说明:P261; P305 + P351 + P338
危险标志:GHS07
WGK Germany:3
危险类别码:R36/37/38
危险品运输编码:UN 2811
海关编码:2916399090
危险品标志:Xi
危险性描述:H302; H315; H319; H335
信号词:Warning
危险性防范说明:P261; P305 + P351 + P338
危险标志:GHS07
生产方法及用途
合成路线
上游原料
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图谱
Predict 1H proton NMR

13C NMR : in CDCl3

Raman : 4880 A,200 M,powder

Mass

IR : KBr disc

IR : nujol mull
