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化合物简介
4-Imidazolecarboxaldehyde is a 4-formyl derivative of imidazole used in the preparation of C17,20-lyase inhibitor for the treatemnet of androgen-dependent prostate cancer. 4-Imidazolecarboxaldehyde is also used in the synthesis of other biologically active compounds such as antimalarial drugs.
基本信息
CAS:3034-50-2
中文别名:咪唑-4-甲醛;4-甲酰基咪唑;5-咪唑甲醛;4(5)-咪唑甲醛;1H-咪唑-4-甲醛;
英文别名:4-Formyl-1H-imidazole;1H-Imidazole-4-Carbaldehyde;4-imidazolecarbaldehyde;Imidazole-4-carboxaldehyde;4-Imidazolecarboxaldehyde;1H-Imidazole-4-carboxaldehyde;1H-Imidazole-4-carbaldehyde;4-Formylimidazole;Imidazole-4-carbaldehyde;1H-imidazol-4-carboxaldehyde;
分子式:C4H4N2O
分子量:96.0874
精确质量:96.0324
Psa:45.75
Logp:0.2222
中文别名:咪唑-4-甲醛;4-甲酰基咪唑;5-咪唑甲醛;4(5)-咪唑甲醛;1H-咪唑-4-甲醛;
英文别名:4-Formyl-1H-imidazole;1H-Imidazole-4-Carbaldehyde;4-imidazolecarbaldehyde;Imidazole-4-carboxaldehyde;4-Imidazolecarboxaldehyde;1H-Imidazole-4-carboxaldehyde;1H-Imidazole-4-carbaldehyde;4-Formylimidazole;Imidazole-4-carbaldehyde;1H-imidazol-4-carboxaldehyde;
分子式:C4H4N2O
分子量:96.0874
精确质量:96.0324
Psa:45.75
Logp:0.2222
编号系统
MDL号:MFCD00173726
物化性质
外观与性状:白色至淡黄色粉末
密度:1.322
沸点:163-166ºC
熔点:174-177°C(lit.)
闪点:179.8ºC
折射率:1.535
密度:1.322
沸点:163-166ºC
熔点:174-177°C(lit.)
闪点:179.8ºC
折射率:1.535
安全信息
安全说明:S26-S36-S36/37/39
危险类别码:R20/21/22; R36/37/38
WGK Germany:3
海关编码:2933290090
危险品标志:Xn
危险性防范说明:P261; P305 + P351 + P338
危险标志:GHS07
信号词:Warning
危险性描述:H315; H319; H335
危险类别码:R20/21/22; R36/37/38
WGK Germany:3
海关编码:2933290090
危险品标志:Xn
危险性防范说明:P261; P305 + P351 + P338
危险标志:GHS07
信号词:Warning
危险性描述:H315; H319; H335
生产方法及用途
用途
可用于精细化工,医药中间体。
可用于精细化工,医药中间体。
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上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
