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化合物简介
基本信息
CAS:1691-93-6
中文别名:3-甲基-1-苯基-4-三氟乙酰基-5-吡唑酮;5-羟基-3-甲基-1-苯基-4-三氟乙酰吡唑;
英文别名:3-methyl-1-phenyl-4-trifluoroacetylpyrazol-5-one;5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one;3-METHYL-1-PHENYL-4-TRIFLUOROACETYL-2-PYRAZOLIN-5-ONE;1-phenyl-3-methyl-4-trifluoroacetylpyrazol-5-one;3-METHYL-1-PHENYL-4-TRIFLUOROACETYL-5-PYRAZOLONE;3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone;5-HYDROXY-3-METHYL-1-PHENYL-4-TRIFLUOROACETYLPYRAZOLE;4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone;
分子式:C12H9F3N2O2
分子量:270.207
精确质量:270.062
Psa:49.74
Logp:1.6573
中文别名:3-甲基-1-苯基-4-三氟乙酰基-5-吡唑酮;5-羟基-3-甲基-1-苯基-4-三氟乙酰吡唑;
英文别名:3-methyl-1-phenyl-4-trifluoroacetylpyrazol-5-one;5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one;3-METHYL-1-PHENYL-4-TRIFLUOROACETYL-2-PYRAZOLIN-5-ONE;1-phenyl-3-methyl-4-trifluoroacetylpyrazol-5-one;3-METHYL-1-PHENYL-4-TRIFLUOROACETYL-5-PYRAZOLONE;3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone;5-HYDROXY-3-METHYL-1-PHENYL-4-TRIFLUOROACETYLPYRAZOLE;4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone;
分子式:C12H9F3N2O2
分子量:270.207
精确质量:270.062
Psa:49.74
Logp:1.6573
编号系统
MDL号:MFCD00143378
PubChem号:24885709
BRN号:5969762
PubChem号:24885709
BRN号:5969762
物化性质
密度:1.397g/cm3
沸点:291.4ºC at 760 mmHg
熔点:145-148°C
闪点:130ºC
折射率:1.525
蒸汽压:0.00195mmHg at 25°C
沸点:291.4ºC at 760 mmHg
熔点:145-148°C
闪点:130ºC
折射率:1.525
蒸汽压:0.00195mmHg at 25°C
安全信息
安全说明:S26-S36
危险类别码:R36/37/38
WGK Germany:3
危险品标志:Xi
危险类别码:R36/37/38
WGK Germany:3
危险品标志:Xi
生产方法及用途
合成路线
上游原料
下游产品
图谱
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
