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化合物简介
基本信息
CAS:89-36-1
中文别名:4’-磺酸吡唑酮;4\'-磺酸吡唑酮;3-甲基-1-(4-磺酸苯基)-5-吡啶啉酮;1-(4-磺酸基苯基)-3-甲基-5-吡唑啉酮;3-甲基-1-(4-磺酸苯基)-2-吡唑啉-5-酮;3-甲基-1-(4-磺苯基)-2-吡唑啉-5-酮;3-甲基-1-(4-磺酸基苯基)-5-吡唑啉酮;1-(4-磺酸基苯基)-3-甲基-5-吡唑酮(SMP);1-(4\'-磺酸苯基)-3-甲基-5-吡唑啉酮;4-(3-甲基-5-氧-2-吡唑啉-1-基)苯磺酸;
英文别名:4-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid;PSMP;4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid;SPMP;1-(4-sulfophenyl)-3-methyl-2-pyrazoline-5-one;1-(p-Sulfophenyl)-3-methyl-pyrazolon-(5);1-(4-Sulfophenyl)-3-methyl-5-p;4-PYRAZOLIC ACID;4-acid pyrazolone;Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;PYRAZOLINE G;4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzolsulfonsaeure;PHENYLMETHYLPYRAZOLE-4-ACID;4-(3-methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzenesulfonic acid;p-SMP (1 : 4 SPMP);PYRAZOLONE G;Pyrazolic acid;
分子式:C10H10N2O4S
分子量:254.262
精确质量:254.036
Psa:95.42
Logp:1.6273
中文别名:4’-磺酸吡唑酮;4\'-磺酸吡唑酮;3-甲基-1-(4-磺酸苯基)-5-吡啶啉酮;1-(4-磺酸基苯基)-3-甲基-5-吡唑啉酮;3-甲基-1-(4-磺酸苯基)-2-吡唑啉-5-酮;3-甲基-1-(4-磺苯基)-2-吡唑啉-5-酮;3-甲基-1-(4-磺酸基苯基)-5-吡唑啉酮;1-(4-磺酸基苯基)-3-甲基-5-吡唑酮(SMP);1-(4\'-磺酸苯基)-3-甲基-5-吡唑啉酮;4-(3-甲基-5-氧-2-吡唑啉-1-基)苯磺酸;
英文别名:4-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid;PSMP;4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid;SPMP;1-(4-sulfophenyl)-3-methyl-2-pyrazoline-5-one;1-(p-Sulfophenyl)-3-methyl-pyrazolon-(5);1-(4-Sulfophenyl)-3-methyl-5-p;4-PYRAZOLIC ACID;4-acid pyrazolone;Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;PYRAZOLINE G;4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzolsulfonsaeure;PHENYLMETHYLPYRAZOLE-4-ACID;4-(3-methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzenesulfonic acid;p-SMP (1 : 4 SPMP);PYRAZOLONE G;Pyrazolic acid;
分子式:C10H10N2O4S
分子量:254.262
精确质量:254.036
Psa:95.42
Logp:1.6273
编号系统
MDL号:MFCD00020756
物化性质
外观与性状:米色粉末
密度:1.53 g/cm3
沸点:477ºC
熔点:>252°C (dec.)(lit.)
水溶解性:5 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
密度:1.53 g/cm3
沸点:477ºC
熔点:>252°C (dec.)(lit.)
水溶解性:5 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep container closed when not in use. 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-S36/37/39-S45
WGK Germany:1
危险类别码:R34
危险品运输编码:UN 1759 8/PG 2
海关编码:2933199090
危险品标志:C
危险标志:GHS05
危险性防范说明:P280; P305 + P351 + P338; P310
信号词:Danger
危险性描述:H314
WGK Germany:1
危险类别码:R34
危险品运输编码:UN 1759 8/PG 2
海关编码:2933199090
危险品标志:C
危险标志:GHS05
危险性防范说明:P280; P305 + P351 + P338; P310
信号词:Danger
危险性描述:H314
生产方法及用途
用途
用作医药、染料、颜料的中间体
用作医药、染料、颜料的中间体
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

Mass

IR : KBr disc

IR : nujol mull
