2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮

• 常用名: 2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮
• 英文名: 2,4-dihydro-2,5-diphenyl-3H-Pyrazol-3-one
• CAS号: 4845-49-2
• 分子量: 236.26900
• 密度: 1.17g/cm3
• 沸点: 368.7ºC at 760mmHg
• 分子式: C₁₅H₁₂N₂O
• 熔点: 137-138℃
• 闪点: 176.8ºC

2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮名称

• 中文名: 2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮
• 英文名: 2,5-diphenyl-4H-pyrazol-3-one
• 中文别名: 1,3-二苯基-1H-吡唑-5(4H)-酮

2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮物理化学性质

• 密度: 1.17g/cm3
• 沸点: 368.7ºC at 760mmHg
• 熔点: 137-138℃
• 分子式: C₁₅H₁₂N₂O
• 分子量: 236.26900
• 闪点: 176.8ºC
• 精确质量: 236.09500
• PSA: 32.67000
• LogP: 2.32820
• InChIKey: MZKALFCNIJHTJG-UHFFFAOYSA-N
• SMILES: O=C1CC(c2ccccc2)=NN1c1ccccc1
• 折射率: 1.642
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积:32.7

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:338

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮MSDS

2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮MSDS英文版

2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2933199090

2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮海关

• 海关编码: 2933199090
• 中文概述: 2933199090. 其他结构上有非稠合吡唑环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮靶点实验

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2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮英文别名

• 2,5-Diphenyl-2,4-dihydro-pyrazol-3-one
• 3H-Pyrazol-3-one,2,4-dihydro-2,5-diphenyl
• 1,3-diphenyl-5-oxo-4,5-dihydro-1H-pyrazole
• 2-Pyrazolin-5-one,1,3-diphenyl
• 2,5-Diphenyl-2,4-dihydro-3H-pyrazol-3-one
• 1,3-diphenyl-4,5-dihydro-pyrazolin-5-one
• 1,3-diphenyl-1,4-dihydropyrazol-5-one
• 1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-one
• 1,3-diphenyl-4,5-dihydropyrazol-5-one