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化合物简介
2-Bromo-3-methylthiophene is used to prepare pyrazolo[3,4-d]pyrimidine derivatives as inhibitors of human enterovirus, coxsackievirus, echovirus, influenza virus, herpes simplex virus and rhinovirus. It is also used in the synthesis of oral α7 nicotinic receptor agonists.
基本信息
CAS:14282-76-9
中文别名:2-溴-3-甲基硫代苯;2-溴-3-甲硫基苯E;2-溴-3-甲基噻酚;
英文别名:Thiophene, 2-bromo-3-methyl-;2-bromo-2-methylthiophene;2-bromo-3-methyl-thiophene;Thiophene,2-bromo-3-methyl;3-methyl-2-bromothiophene;2-Brom-3-methyl-thiophen;2-bromo-3-methylthiophen;2-Bromo-3-Methylthiophene;
分子式:C5H5BrS
分子量:177.062
精确质量:175.93
Psa:28.24
Logp:2.819
中文别名:2-溴-3-甲基硫代苯;2-溴-3-甲硫基苯E;2-溴-3-甲基噻酚;
英文别名:Thiophene, 2-bromo-3-methyl-;2-bromo-2-methylthiophene;2-bromo-3-methyl-thiophene;Thiophene,2-bromo-3-methyl;3-methyl-2-bromothiophene;2-Brom-3-methyl-thiophen;2-bromo-3-methylthiophen;2-Bromo-3-Methylthiophene;
分子式:C5H5BrS
分子量:177.062
精确质量:175.93
Psa:28.24
Logp:2.819
编号系统
BRN号:105719
PubChem号:24860449
MDL号:MFCD00059741
EINECS号:238-175-2
PubChem号:24860449
MDL号:MFCD00059741
EINECS号:238-175-2
物化性质
外观与性状:无色透明或淡黄色液体
密度:1.572g/mLat 25°C(lit.)
沸点:173-176°C(lit.)
闪点:155°F
折射率:n20/D 1.572(lit.)
储存条件:Keep Cold
蒸汽压:1.41mmHg at 25°C
密度:1.572g/mLat 25°C(lit.)
沸点:173-176°C(lit.)
闪点:155°F
折射率:n20/D 1.572(lit.)
储存条件:Keep Cold
蒸汽压:1.41mmHg at 25°C
安全信息
安全说明:S26-S36/37/39-S45
WGK Germany:3
危险类别码:R20/21/22; R25; R36/37/38; R41; R43
海关编码:2934999090
危险品运输编码:UN 2810
包装等级:III
危险品标志:T; Xn
信号词:Danger
危险标志:GHS05, GHS07
危险性描述:H302; H318
危险性防范说明:P280; P305 + P351 + P338
WGK Germany:3
危险类别码:R20/21/22; R25; R36/37/38; R41; R43
海关编码:2934999090
危险品运输编码:UN 2810
包装等级:III
危险品标志:T; Xn
信号词:Danger
危险标志:GHS05, GHS07
危险性描述:H302; H318
危险性防范说明:P280; P305 + P351 + P338
生产方法及用途
用途
新型医药中间体。
新型医药中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
