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化合物简介
Phenyl Chlorothionoformate is used in the preparation of an bicyclic thymidine analogs as selective inhibitors of Thymidine monophosphate kinase Mycobacterium tuberculosis (TMPKmt).
基本信息
CAS:1005-56-7
中文别名:氯化硫代甲酸苯酯;
英文别名:Carbonochloridothioic acid, O-phenyl ester;Chlorothioformic Acid O-Phenyl Ester;Phenyl Chlorothionocarbonate;O-Phenyl chlorothionoformate;O-phenyl chloromethanethioate;Phenyl ChlorothionoforMate;Phenyl Thionochloroformate;
分子式:C7H5ClOS
分子量:172.632
精确质量:171.975
Psa:41.32
Logp:2.5891
中文别名:氯化硫代甲酸苯酯;
英文别名:Carbonochloridothioic acid, O-phenyl ester;Chlorothioformic Acid O-Phenyl Ester;Phenyl Chlorothionocarbonate;O-Phenyl chlorothionoformate;O-phenyl chloromethanethioate;Phenyl ChlorothionoforMate;Phenyl Thionochloroformate;
分子式:C7H5ClOS
分子量:172.632
精确质量:171.975
Psa:41.32
Logp:2.5891
编号系统
EINECS号:213-736-4
MDL号:MFCD00004920
BRN号:774830
MDL号:MFCD00004920
BRN号:774830
物化性质
外观与性状:黄色至黄色-绿色液体
密度:1.283 g/cm3 | Condition: Temp: 15 °C
沸点:100 °C | Condition: Press: 15 Torr
熔点:51 °C
闪点:179°F
折射率:n20/D 1.581(lit.)
水溶解性:decomposes
稳定性:Stable under normal temperatures and pressures. May decompose on exposure to moist air or water.
储存条件:0-6ºC
蒸汽压:0.166mmHg at 25°C
密度:1.283 g/cm3 | Condition: Temp: 15 °C
沸点:100 °C | Condition: Press: 15 Torr
熔点:51 °C
闪点:179°F
折射率:n20/D 1.581(lit.)
水溶解性:decomposes
稳定性:Stable under normal temperatures and pressures. May decompose on exposure to moist air or water.
储存条件:0-6ºC
蒸汽压:0.166mmHg at 25°C
安全信息
安全说明:S26-S36/37/39-S45
WGK Germany:3
危险类别码:R34
海关编码:29309070
危险品运输编码:UN 3265 8/PG 2
危险类别:8
包装等级:II
危险品标志:C
WGK Germany:3
危险类别码:R34
海关编码:29309070
危险品运输编码:UN 3265 8/PG 2
危险类别:8
包装等级:II
危险品标志:C
生产方法及用途
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上游原料
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图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

Mass

IR : liquid film
