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化合物简介
基本信息
CAS:454-92-2
中文别名:间三氟甲基安息香酸;α,α,α-三氟间甲基苯甲酸;3-(三氟甲基)苯甲酸;α,α,α-三氟间甲苯酸;间三氟甲基苯甲酸;
英文别名:3-trifluoromethylbenzoicacid;m-CARBOXYBENZOTRIFLUORIDE;α,α,α-Trifluoro-m-toluic Acid;3-Carboxybenzotrifluoride;m-Trifluoromethylbenzoic acid;a,a,a-trifluoro-m-toluic acid;3-(Trifluoromethyl)benzoic acid;Benzoic acid, 3-(trifluoromethyl)-;
分子式:C8H5F3O2
分子量:190.119
精确质量:190.024
Psa:37.3
Logp:2.4036
中文别名:间三氟甲基安息香酸;α,α,α-三氟间甲基苯甲酸;3-(三氟甲基)苯甲酸;α,α,α-三氟间甲苯酸;间三氟甲基苯甲酸;
英文别名:3-trifluoromethylbenzoicacid;m-CARBOXYBENZOTRIFLUORIDE;α,α,α-Trifluoro-m-toluic Acid;3-Carboxybenzotrifluoride;m-Trifluoromethylbenzoic acid;a,a,a-trifluoro-m-toluic acid;3-(Trifluoromethyl)benzoic acid;Benzoic acid, 3-(trifluoromethyl)-;
分子式:C8H5F3O2
分子量:190.119
精确质量:190.024
Psa:37.3
Logp:2.4036
编号系统
MDL号:MFCD00002519
物化性质
外观与性状:白色至淡黄色晶体粉末
密度:1.403 g/cm3
沸点:238.5°C775mm Hg(lit.)
熔点:104-106°C(lit.)
闪点:237-240°C
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:0.0241mmHg at 25°C
密度:1.403 g/cm3
沸点:238.5°C775mm Hg(lit.)
熔点:104-106°C(lit.)
闪点:237-240°C
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:0.0241mmHg at 25°C
安全信息
安全说明:S26-S36-S24/25
危险类别码:R36/37/38
WGK Germany:3
海关编码:29163900
危险品标志:Xi
危险类别码:R36/37/38
WGK Germany:3
海关编码:29163900
危险品标志:Xi
生产方法及用途
用途
医药中间体。
医药中间体。
合成路线
上游原料
下游产品
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,powder

IR : nujol mull

IR : KBr disc
