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  • 4-氯-3-三氟甲基异氰酸苯酯

    4-Chloro-3-(trifluoromethyl)phenyl isocyanate

化合物简介

4-Chloro-3-(trifluoromethyl)phenyl isocyanate is used as a reagent to synthesize pyrimidinylaminobenzene derivatives, compounds that have antiproliferative activity against melanoma cell lines. 4-Chloro-3-(trifluoromethyl)phenyl isocyanate is also used to synthesize α-thymidine analogues that act as antimalarial agents.

基本信息

CAS:327-78-6
中文别名:4-氯-3-三氟甲基苯基异氰酸酯;索拉非尼中间体3;异氰酸4-氯-3-(三氟甲基)苯酯;
英文别名:4-Chloro-3-(trifluoromethyl)phenyl Isocyanate;3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE;Isocyanic Acid 4-Chloro-3-(trifluoromethyl)phenyl Ester;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;4-Chloro-3-(trifluoromethyl)phenylisocyanate;4-Cl-3CF3-phenyl isocyanate;Sorafenib intermediate 3;1-chloro-4-isocyanato-2-trifluoromethylbenzene;
分子式:C8H3ClF3NO
分子量:221.564
精确质量:220.986
Psa:29.43
Logp:3.3261

编号系统

MDL号:MFCD00013874

物化性质

外观与性状:白色至淡黄色低熔点固体,粉末或大块
密度:1.4 g/cm3
沸点:86-90°C14mm Hg(lit.)
熔点:40-42°C(lit.)
闪点:211°F
折射率:1.487

安全信息

安全说明:S7-S26-S27-S37/39-S36/37/39-S45-S23
WGK Germany:3
危险类别码:R20/21/22; R36/37/38
危险品运输编码:UN 2206 6.1/PG 3
海关编码:2929109000
危险类别:6.1
包装等级:III
危险品标志:Xn

生产方法及用途

用途
是索拉菲尼中间体。

合成路线

上游原料

下游产品

图谱

13C NMR : Predict


1H NMR : Predict


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