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化合物简介
Diethylcarbamoyl chloride is a reagent in the synthesis of S-Methyl-N,N-diethylthiocarbamate Sulfoxide, which is an oxygenated metabolite of Disulfiram (Antabuse) that is capable of in vitro inactivation of liver mitochondrial aldehyde dehydrogenase (EC 1.2.1.3, ALDH).
基本信息
CAS:88-10-8
中文别名:二乙基氨甲酰氯;N,N-二乙基氨基甲酰氯;二乙胺基甲酰氯;二乙氨基甲酰氯;二乙基氨基甲酰氯;
英文别名:Carbamicchloride,diethyl;N,N-diethylcarbamyl chloride;N,N-Diethylchloroformamide;diethylchloroformamide;diethylaminocarbonyl chloride;diethyl-carbamoylchlorid;N,N-diethylcarbamic acid chloride;diethyl-carbamicchlorid;Diethylcarbamic chloride;Diethylcarbamyl chlo;diethylcarbamic acid chloride;Carbamic chloride, diethyl-;N,N-diethyl carbamoyl chloride;DECC;N,N-diethylaminocarbonyl chloride;
分子式:C5H10ClNO
分子量:135.592
精确质量:135.045
Psa:20.31
Logp:1.687
中文别名:二乙基氨甲酰氯;N,N-二乙基氨基甲酰氯;二乙胺基甲酰氯;二乙氨基甲酰氯;二乙基氨基甲酰氯;
英文别名:Carbamicchloride,diethyl;N,N-diethylcarbamyl chloride;N,N-Diethylchloroformamide;diethylchloroformamide;diethylaminocarbonyl chloride;diethyl-carbamoylchlorid;N,N-diethylcarbamic acid chloride;diethyl-carbamicchlorid;Diethylcarbamic chloride;Diethylcarbamyl chlo;diethylcarbamic acid chloride;Carbamic chloride, diethyl-;N,N-diethyl carbamoyl chloride;DECC;N,N-diethylaminocarbonyl chloride;
分子式:C5H10ClNO
分子量:135.592
精确质量:135.045
Psa:20.31
Logp:1.687
编号系统
UNII:5RIV1U6H5W
物化性质
外观与性状:透明至略淡灰色液体
密度:1.07g/mLat 25°C(lit.)
沸点:117-123°C133mm Hg(lit.)
熔点:−32°C(lit.)
闪点:167°F
折射率:n20/D 1.451(lit.)
水溶解性:HYDROLYSIS
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
密度:1.07g/mLat 25°C(lit.)
沸点:117-123°C133mm Hg(lit.)
熔点:−32°C(lit.)
闪点:167°F
折射率:n20/D 1.451(lit.)
水溶解性:HYDROLYSIS
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
安全信息
RTECS号:FD4025000
安全说明:S26-S36/37
危险类别码:R20/22; R36/37/38; R40
WGK Germany:1
危险品运输编码:UN 3265 8/PG 3
海关编码:2903199000
危险类别:8
包装等级:II
危险品标志:Xn
安全说明:S26-S36/37
危险类别码:R20/22; R36/37/38; R40
WGK Germany:1
危险品运输编码:UN 3265 8/PG 3
海关编码:2903199000
危险类别:8
包装等级:II
危险品标志:Xn
生产方法及用途
生产方法
以乙二胺为原料,与光气进行甲酰氯化反应,制得粗品二乙胺基甲酰氯,经脱酸而得成品。 该品为医药、农药中间体,用于抗血丝虫药海群生、除草剂杀草丹等的生产。
用途
该品为医药、农药中间体,用于抗血丝虫药海群生、除草剂杀草丹等的生产。
以乙二胺为原料,与光气进行甲酰氯化反应,制得粗品二乙胺基甲酰氯,经脱酸而得成品。 该品为医药、农药中间体,用于抗血丝虫药海群生、除草剂杀草丹等的生产。
用途
该品为医药、农药中间体,用于抗血丝虫药海群生、除草剂杀草丹等的生产。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Mass

IR : liquid film

SOLUTION (2% CCl4 FOR 3800-1350, 2% CS2 FOR 1350-430 CM-1)

gas
