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化合物简介
4-Chloro-3-fluoroaniline is used in the synthesis of Methyl 5-Chloro-4-fluoro-1H-indole-2-carboxylate; a key intermediate towards phosphoindole inhibitors of HIV non-nucleoside reverse transcriptase. 4-Chloro-3-fluoroaniline is also used in the synthesis of 3-Deschloro-4-desfluoro-4-chloro-3-fluoro Gefitinib which is an impurity of the tyrosine kinase inhibitor Gefitinib.
基本信息
CAS:367-22-6
中文别名:3-氟-4-氯苯胺;
英文别名:3-F-4-Cl aniline;3-fluoro-4-chloro-phenylamine;3-Fluoro-4-Chloroaniline;4-Chloro-3-Fluoroaniline;4-Chlor-3-fluor-anilin;4-Chloro-3-fluorophenylamine;4-chloro-3-fluoro-aniline;4-Chloro-3-fluoro-phenylamine;4-Chloro-3-fluoroanline;para-chloro-meta-fluoroaniline;
分子式:C6H5ClFN
分子量:145.562
精确质量:145.009
Psa:26.02
Logp:2.6425
中文别名:3-氟-4-氯苯胺;
英文别名:3-F-4-Cl aniline;3-fluoro-4-chloro-phenylamine;3-Fluoro-4-Chloroaniline;4-Chloro-3-Fluoroaniline;4-Chlor-3-fluor-anilin;4-Chloro-3-fluorophenylamine;4-chloro-3-fluoro-aniline;4-Chloro-3-fluoro-phenylamine;4-Chloro-3-fluoroanline;para-chloro-meta-fluoroaniline;
分子式:C6H5ClFN
分子量:145.562
精确质量:145.009
Psa:26.02
Logp:2.6425
编号系统
MDL号:MFCD01090987
物化性质
密度:1.349 g/cm3
沸点:234.7ºC at 760 mmHg
熔点:61
闪点:95.7ºC
沸点:234.7ºC at 760 mmHg
熔点:61
闪点:95.7ºC
安全信息
安全说明:S26-S36/37/39
危险类别码:R20/21/22; R36/37/38
危险品运输编码:UN2811
海关编码:2921420090
危险类别:6.1
包装等级:III
危险品标志:T; Xi
危险类别码:R20/21/22; R36/37/38
危险品运输编码:UN2811
海关编码:2921420090
危险类别:6.1
包装等级:III
危险品标志:T; Xi
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
