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化合物简介
Intermediate in the preparation of PDE7 inhibitors and kinase inhibitors.
基本信息
CAS:121-02-8
中文别名:5-硝基邻甲基苯磺酰氯;
英文别名:2-methyl-5-nitro-benzene-sulfonyl chloride;2-Methyl-5-Nitrobenzene-1-Sulfonyl Chloride;5-nitro-2-methyl-phenylsulfonyl chloride;sulfonyl chloride;2-methyl-5-nitro-benzenesulphonyl chloride;2-Methyl-5-nitrobenzenesulfonylchloride;4-Nitrotoluen-2-sulfochlorid;5-Nitro-o-toluenesulfonyl Chloride;5-Nitro-o-toluenesulfonyl chloride;4-Nitrotoluene-2-sulphonyl chloride;2-Methyl-5-nitrobenzenesulfonyl Chloride;EINECS 204-444-8;5-nitro-2-methylbenzenesulfonylchloride;o-Toluenesulfonyl chloride,5-nitro;Benzenesulfonyl chloride,2-methyl-5-nitro;4-nitrotoluene-2-sulfochloride;
分子式:C7H6ClNO4S
分子量:235.645
精确质量:234.971
Psa:88.34
Logp:3.4347
中文别名:5-硝基邻甲基苯磺酰氯;
英文别名:2-methyl-5-nitro-benzene-sulfonyl chloride;2-Methyl-5-Nitrobenzene-1-Sulfonyl Chloride;5-nitro-2-methyl-phenylsulfonyl chloride;sulfonyl chloride;2-methyl-5-nitro-benzenesulphonyl chloride;2-Methyl-5-nitrobenzenesulfonylchloride;4-Nitrotoluen-2-sulfochlorid;5-Nitro-o-toluenesulfonyl Chloride;5-Nitro-o-toluenesulfonyl chloride;4-Nitrotoluene-2-sulphonyl chloride;2-Methyl-5-nitrobenzenesulfonyl Chloride;EINECS 204-444-8;5-nitro-2-methylbenzenesulfonylchloride;o-Toluenesulfonyl chloride,5-nitro;Benzenesulfonyl chloride,2-methyl-5-nitro;4-nitrotoluene-2-sulfochloride;
分子式:C7H6ClNO4S
分子量:235.645
精确质量:234.971
Psa:88.34
Logp:3.4347
编号系统
RTECS号:XT8000000
MDL号:MFCD00051695
EINECS号:204-444-8
BRN号:2697079
MDL号:MFCD00051695
EINECS号:204-444-8
BRN号:2697079
物化性质
密度:1.528 g/cm3
沸点:135-137°C/0.7mm
熔点:43 °C
闪点:135-137°C/0.7mm
折射率:1.576
蒸汽压:2.57E-05mmHg at 25°C
沸点:135-137°C/0.7mm
熔点:43 °C
闪点:135-137°C/0.7mm
折射率:1.576
蒸汽压:2.57E-05mmHg at 25°C
安全信息
RTECS号:XT8000000
安全说明:S22-S26-S30-S45-S8-S36/37/39
危险类别码:R14; R29; R34
危险品运输编码:3261
海关编码:2904909090
危险类别:8
包装等级:II
危险品标志:C
危险性描述:H314
危险性防范说明:P280; P305 + P351 + P338; P310
危险标志:GHS05
信号词:Danger
安全说明:S22-S26-S30-S45-S8-S36/37/39
危险类别码:R14; R29; R34
危险品运输编码:3261
海关编码:2904909090
危险类别:8
包装等级:II
危险品标志:C
危险性描述:H314
危险性防范说明:P280; P305 + P351 + P338; P310
危险标志:GHS05
信号词:Danger
生产方法及用途
合成路线
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参考文献
Tagiev; Kazaz; Anyl Russian Journal of Applied Chemistry, 2012 , vol. 85, # 10 p. 1581 - 1585 Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.), 2012 , vol. 85, # 10 p. 1648 - 1652,5
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图谱
13C NMR : Predict
1H NMR : Predict










