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化合物简介
3,5-Bis(trifluoromethyl)benzyl Bromide is used as a reagent in the synthesis of [(chlorophenyl)benzylamino]propanamides as cholesteryl ester transfer protein (CETP) inhibitors. Also used as a reagent in the synthesis of substituted dihydropyridopyrazinedione derivatives as γ-secretase modulators in the treatment of Alzheimer's disease.
基本信息
CAS:32247-96-4
中文别名:3,5-双三氟甲基溴苄;1-溴甲基-3,5-双(三氟甲基)苯;3,5-双三氟甲;3,5-双(三氟甲基)苄基溴;3,5-双(三氟甲基)溴苄;3,5-二(三氟甲基)苄溴;3,5-双(三氟甲基)苄溴;3,5-二(三氟甲基)苄基溴;
英文别名:3,5-di-CF3-benzyl bromide;1-Bromomethyl-3,5-bis(trifluoromethyl)benzene;1-(bromomethyl)-3,5-di(trifluoromethyl)benzene;3,5-bis(trifluoromethyl)benzyl bromide;3,5-di(trifluoromethyl)benzyl bromide;1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene;3,5-Bis(trifluoroMethyl)benzyl BroMide;1,3-bis(trifluoromethyl)-5-(bromomethyl)benzene;
分子式:C9H5BrF6
分子量:307.03
精确质量:305.948
Psa:0.0
Logp:4.6191
中文别名:3,5-双三氟甲基溴苄;1-溴甲基-3,5-双(三氟甲基)苯;3,5-双三氟甲;3,5-双(三氟甲基)苄基溴;3,5-双(三氟甲基)溴苄;3,5-二(三氟甲基)苄溴;3,5-双(三氟甲基)苄溴;3,5-二(三氟甲基)苄基溴;
英文别名:3,5-di-CF3-benzyl bromide;1-Bromomethyl-3,5-bis(trifluoromethyl)benzene;1-(bromomethyl)-3,5-di(trifluoromethyl)benzene;3,5-bis(trifluoromethyl)benzyl bromide;3,5-di(trifluoromethyl)benzyl bromide;1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene;3,5-Bis(trifluoroMethyl)benzyl BroMide;1,3-bis(trifluoromethyl)-5-(bromomethyl)benzene;
分子式:C9H5BrF6
分子量:307.03
精确质量:305.948
Psa:0.0
Logp:4.6191
编号系统
MDL号:MFCD00009905
物化性质
外观与性状:无色至黄色棕色透明液体
密度:1.675g/mLat 25°C(lit.)
沸点:136-140°C 14mm
熔点:28-30ºC
闪点:79°F
折射率:n20/D 1.445(lit.)
储存条件:Flammables area
密度:1.675g/mLat 25°C(lit.)
沸点:136-140°C 14mm
熔点:28-30ºC
闪点:79°F
折射率:n20/D 1.445(lit.)
储存条件:Flammables area
安全信息
安全说明:S26-S36/37/39-S45-S25-S16
危险类别码:R10; R34
WGK Germany:3
危险品运输编码:UN 2920 8/PG 2
海关编码:2903999090
危险类别:8
包装等级:III
危险品标志:C
危险类别码:R10; R34
WGK Germany:3
危险品运输编码:UN 2920 8/PG 2
海关编码:2903999090
危险类别:8
包装等级:III
危险品标志:C
生产方法及用途
合成路线
-
参考文献
MITENI S.P.A. Patent: WO2005/35472 A1, 2005 ; Location in patent: Page/Page column 7-8 ;
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 : 400 MHz in CDCl3
Mass spectrum (electron ionization)
Mass
IR : liquid film







