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化合物简介
基本信息
CAS:1450-85-7
中文别名:2-巯基嘧啶;
英文别名:1H-Pyrimidine-2-thiol;2-Thiopyrimidine;pyrimidine-2-thione;2-Mercaptopyrimidine;2-Thio-4-deoxyuracil;pyrimidine-2(1H)-thione;2-PYRIMIDINETHIOL;2(1H)-Pyrimidinethione;2-Pyrimidinethione;2-Pyrimidinethiol;PYRIMIDINE-2-THIOL;1 H-pyrimidine-2-thione;pyrimidinthione;
分子式:C4H4N2S
分子量:112.153
精确质量:112.01
Psa:64.58
Logp:0.7653
中文别名:2-巯基嘧啶;
英文别名:1H-Pyrimidine-2-thiol;2-Thiopyrimidine;pyrimidine-2-thione;2-Mercaptopyrimidine;2-Thio-4-deoxyuracil;pyrimidine-2(1H)-thione;2-PYRIMIDINETHIOL;2(1H)-Pyrimidinethione;2-Pyrimidinethione;2-Pyrimidinethiol;PYRIMIDINE-2-THIOL;1 H-pyrimidine-2-thione;pyrimidinthione;
分子式:C4H4N2S
分子量:112.153
精确质量:112.01
Psa:64.58
Logp:0.7653
编号系统
PubChem号:24847918
MDL号:MFCD00006073
EINECS号:215-917-3
BRN号:107105
MDL号:MFCD00006073
EINECS号:215-917-3
BRN号:107105
物化性质
外观与性状:白色至淡黄色结晶粉末
密度:1.3g/cm3
沸点:191.3ºC at 760 mmHg
熔点:230°C (dec.)(lit.)
闪点:69.5ºC
折射率:1.662
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.
蒸汽压:0.519mmHg at 25°C
密度:1.3g/cm3
沸点:191.3ºC at 760 mmHg
熔点:230°C (dec.)(lit.)
闪点:69.5ºC
折射率:1.662
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.
蒸汽压:0.519mmHg at 25°C
安全信息
安全说明:S22-S24/25
危险类别码:R36/37/38
WGK Germany:3
海关编码:29335995
危险品标志:Xn
危险类别码:R36/37/38
WGK Germany:3
海关编码:29335995
危险品标志:Xn
生产方法及用途
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

Mass spectrum (electron ionization)

Mass

IR : nujol mull

IR : KBr disc
