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化合物简介
基本信息
CAS:16617-46-2
中文别名:5-氨基-1-H-4-氰基吡唑;4-氰基-5-氨基吡唑;5-氨基-4-氰基吡唑;3-氨基-4-吡唑甲腈;3-氨基吡唑-4-腈;3-氨基-1H-吡唑-4-腈;3-氨基-1-氢-4-氰基吡唑;3-氨基吡啶-4-甲腈;
英文别名:3-Amino-1H-pyrazole-4-carbonitrile;pyrazolecarbonitrile;3-Aminopyrazole-4-Carbonitrile;3-Amino-4-cyanopyrrole;Zaleplon intermediate;5-amino-4-pyrazolecarbonitrile;3-Amino-4-cyanopyrazole;5-aminopyrazole-4-carbonitrile;5-AMINO-4-CYANOPYRAZOLE;1H-Pyrazole-4-carbonitrile, 3-amino-;3-aminopyrazolo-4-carbonitrile;5-amino-1H-pyrazole-4-carbonitrile;3-amino-4-cyano-1H-pyrazole;4-cyano-5-aminopyrazole;
分子式:C4H4N4
分子量:108.101
精确质量:108.044
Psa:78.49
Logp:0.44478
中文别名:5-氨基-1-H-4-氰基吡唑;4-氰基-5-氨基吡唑;5-氨基-4-氰基吡唑;3-氨基-4-吡唑甲腈;3-氨基吡唑-4-腈;3-氨基-1H-吡唑-4-腈;3-氨基-1-氢-4-氰基吡唑;3-氨基吡啶-4-甲腈;
英文别名:3-Amino-1H-pyrazole-4-carbonitrile;pyrazolecarbonitrile;3-Aminopyrazole-4-Carbonitrile;3-Amino-4-cyanopyrrole;Zaleplon intermediate;5-amino-4-pyrazolecarbonitrile;3-Amino-4-cyanopyrazole;5-aminopyrazole-4-carbonitrile;5-AMINO-4-CYANOPYRAZOLE;1H-Pyrazole-4-carbonitrile, 3-amino-;3-aminopyrazolo-4-carbonitrile;5-amino-1H-pyrazole-4-carbonitrile;3-amino-4-cyano-1H-pyrazole;4-cyano-5-aminopyrazole;
分子式:C4H4N4
分子量:108.101
精确质量:108.044
Psa:78.49
Logp:0.44478
编号系统
BRN号:2647
EINECS号:240-665-6
MDL号:MFCD00005237
PubChem号:24849278
EINECS号:240-665-6
MDL号:MFCD00005237
PubChem号:24849278
物化性质
外观与性状:结晶固体
密度:1.42g/cm3
沸点:476.37ºC at 760 mmHg
熔点:172-174°C(lit.)
折射率:1.621
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.
蒸汽压:0mmHg at 25°C
密度:1.42g/cm3
沸点:476.37ºC at 760 mmHg
熔点:172-174°C(lit.)
折射率:1.621
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.
蒸汽压:0mmHg at 25°C
安全信息
安全说明:S22-S24/25-S23
WGK Germany:3
危险类别码:R20/21
危险品运输编码:3439
海关编码:29331990
危险类别:6.1
包装等级:III
危险品标志:Xn
WGK Germany:3
危险类别码:R20/21
危险品运输编码:3439
海关编码:29331990
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
用途
用作原料药扎来普隆中间体。
用作原料药扎来普隆中间体。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)

Mass

IR : nujol mull

IR : KBr disc

IR

gas
