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化合物简介
Reagent used in the synthesis of COX-2 inhibitors
基本信息
CAS:37052-78-1
中文别名:埃索美拉唑中间体2;5-甲氧基-2-苯并咪唑硫醇;进口标准杂质H118/87;2-巯基-5-甲氧基-1H-苯并咪唑;埃索美拉唑杂质A;5-甲氧基-2-巯基苯并咪唑;埃索美拉唑EP杂质A;埃索美拉唑中间体咪唑;5-甲氧基-2-巯基-1H-苯并咪唑;奥美拉唑杂质A;5-甲氧基-2-巯基苯并咪;
英文别名:5-methoxy-2-benzimidazolethiol;5-Methoxy-1H-benzo[d]imidazole-2-thiol;2-mercapto-5-methoxy-1H-benzimidazole;5-methoxy-2-mercapto-benzimidazole;5-Methoxy-2-benzimidazolethiol;5-Methoxye-2-mercaplobenzinidazole;5-METHOXY-2-THIOBENZIMIDAZOLE;2-mercapto-5-methoxybenzimidazole;2-Mercapto-5-MethoxybenziMidazole;5-METHOXY-2-BENZIMIDAZOLEETHIOL;5-Methoxybenzimidazole-2-thiol;2-Mercapto-5-methoxy-1H-benzim;H 118/87;5-Methoxy-2-mercapto;
分子式:C8H8N2OS
分子量:180.227
精确质量:180.036
Psa:72.9
Logp:2.2341
中文别名:埃索美拉唑中间体2;5-甲氧基-2-苯并咪唑硫醇;进口标准杂质H118/87;2-巯基-5-甲氧基-1H-苯并咪唑;埃索美拉唑杂质A;5-甲氧基-2-巯基苯并咪唑;埃索美拉唑EP杂质A;埃索美拉唑中间体咪唑;5-甲氧基-2-巯基-1H-苯并咪唑;奥美拉唑杂质A;5-甲氧基-2-巯基苯并咪;
英文别名:5-methoxy-2-benzimidazolethiol;5-Methoxy-1H-benzo[d]imidazole-2-thiol;2-mercapto-5-methoxy-1H-benzimidazole;5-methoxy-2-mercapto-benzimidazole;5-Methoxy-2-benzimidazolethiol;5-Methoxye-2-mercaplobenzinidazole;5-METHOXY-2-THIOBENZIMIDAZOLE;2-mercapto-5-methoxybenzimidazole;2-Mercapto-5-MethoxybenziMidazole;5-METHOXY-2-BENZIMIDAZOLEETHIOL;5-Methoxybenzimidazole-2-thiol;2-Mercapto-5-methoxy-1H-benzim;H 118/87;5-Methoxy-2-mercapto;
分子式:C8H8N2OS
分子量:180.227
精确质量:180.036
Psa:72.9
Logp:2.2341
编号系统
MDL号:MFCD00134581
物化性质
外观与性状:略米色粉末
密度:1.38 g/cm3
沸点:309.4ºC at 760 mmHg
熔点:261-263°C(lit.)
闪点:140.9ºC
折射率:1.694
水溶解性:insoluble
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
密度:1.38 g/cm3
沸点:309.4ºC at 760 mmHg
熔点:261-263°C(lit.)
闪点:140.9ºC
折射率:1.694
水溶解性:insoluble
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
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
WGK Germany:3
危险类别码:R22; R37
海关编码:2933990090
危险品标志:Xn
危险标志:GHS07
危险性防范说明:P261; P305 + P351 + P338
危险性描述:H315; H319; H335
信号词:Warning
WGK Germany:3
危险类别码:R22; R37
海关编码:2933990090
危险品标志:Xn
危险标志:GHS07
危险性防范说明:P261; P305 + P351 + P338
危险性描述:H315; H319; H335
信号词:Warning
生产方法及用途
用途
2-巯基-5-甲氧基-1H-苯并咪唑是奥美拉唑,埃索美拉唑中间体。
2-巯基-5-甲氧基-1H-苯并咪唑是奥美拉唑,埃索美拉唑中间体。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

Mass

IR : nujol mull

IR : KBr disc
