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化合物简介
3,4-Diaminobenzophenone is used in the synthesis of 2-Amino-5(6)-benzoylbenzimidazole, which is a minor urinary metabolite of Mebendazole in man. Mebendazole impurity.
基本信息
CAS:39070-63-8
中文别名:3,4-二氨基苯甲酮;3,4-二胺苯甲酮;4-苯甲酰-邻苯二胺;
英文别名:4-Benzoyl-o-phenylenediamine;3,4-DIAMINOBENZOPHENONE MONOHYDROCHLORIDE;3,4-Diaminobenzophenone;4-benzoyl-o-phenylenediamine;5-phenylcarbonyl-1,2-phenylenediamine;4-BENZOYL-1,2-PHENYLENEDIAMINE;DIAMINOBENZOPHENONE-3,4;(3,4-Diaminophenyl)(phenyl)methanone;4-Benzoyl-1,2-benzenediamine;2-Amino-4-benzoylaniline;3,4-diamino-benzophenone;3,4-Diaminodiphenylketone;
分子式:C13H12N2O
分子量:212.247
精确质量:212.095
Psa:69.11
Logp:3.2444
中文别名:3,4-二氨基苯甲酮;3,4-二胺苯甲酮;4-苯甲酰-邻苯二胺;
英文别名:4-Benzoyl-o-phenylenediamine;3,4-DIAMINOBENZOPHENONE MONOHYDROCHLORIDE;3,4-Diaminobenzophenone;4-benzoyl-o-phenylenediamine;5-phenylcarbonyl-1,2-phenylenediamine;4-BENZOYL-1,2-PHENYLENEDIAMINE;DIAMINOBENZOPHENONE-3,4;(3,4-Diaminophenyl)(phenyl)methanone;4-Benzoyl-1,2-benzenediamine;2-Amino-4-benzoylaniline;3,4-diamino-benzophenone;3,4-Diaminodiphenylketone;
分子式:C13H12N2O
分子量:212.247
精确质量:212.095
Psa:69.11
Logp:3.2444
编号系统
MDL号:MFCD00007727
物化性质
外观与性状:黄色至赭色-黄色粉末
密度:1.233 g/cm3
沸点:440.7ºC at 760 mmHg
熔点:115-117°C(lit.)
闪点:220.3ºC
折射率:1.673
水溶解性:410 mg/L (20 ºC)
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.
密度:1.233 g/cm3
沸点:440.7ºC at 760 mmHg
熔点:115-117°C(lit.)
闪点:220.3ºC
折射率:1.673
水溶解性:410 mg/L (20 ºC)
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.
安全信息
安全说明:S26-S36-S37/39
WGK Germany:3
危险类别码:R36/37/38
海关编码:29223900
危险品标志:Xi
WGK Germany:3
危险类别码:R36/37/38
海关编码:29223900
危险品标志:Xi
生产方法及用途
合成路线
-
参考文献
Ayyangar, N. R.; Lahoti, R. J.; Daniel, Thomas Organic Preparations and Procedures International, 1991 , vol. 23, # 5 p. 627 - 632
上游原料
下游产品
图谱
Predict 1H proton NMR
13C NMR : Predict
1H NMR : Predict
13C NMR : in CDCl3
1H NMR : 400 MHz in CDCl3
Mass
IR : KBr disc
IR : nujol mull










