4,5-二氢-6-苯基-3(2H)-哒嗪酮

• 常用名: 4,5-二氢-6-苯基-3(2H)-哒嗪酮
• 英文名: 6-Phenyl-4,5-dihydro-3(2H)-pyridazinone
• CAS号: 1011-46-7
• 分子量: 174.199
• 密度: 1.2±0.1 g/cm3
• 沸点: N/A
• 分子式: C₁₀H₁₀N₂O
• 熔点: 151-154ºC(lit.)
• 闪点: N/A

4,5-二氢-6-苯基-3(2H)-哒嗪酮名称

• 中文名: 4,5-二氢-6-苯基-3(2H)-哒嗪酮
• 英文名: 6-Phenyl-4,5-dihydropyridazin-3(2H)-one
• 中文别名: 6-苯基-4,5-二氢-3(2H)-哒嗪酮

4,5-二氢-6-苯基-3(2H)-哒嗪酮物理化学性质

• 密度: 1.2±0.1 g/cm3
• 熔点: 151-154ºC(lit.)
• 分子式: C₁₀H₁₀N₂O
• 分子量: 174.199
• 精确质量: 174.079315
• PSA: 41.46000
• LogP: 0.04
• InChIKey: KSGYMLDMYPAMFV-UHFFFAOYSA-N
• SMILES: O=C1CCC(c2ccccc2)=NN1
• 外观性状: 固体;White to Yellow to Green powder to crystal
• 折射率: 1.623
• 储存条件: 室温，密封，干燥
• 分子结构:

  1、摩尔折射率：50.49

  2、摩尔体积（cm³/mol）：143.1

  3、等张比容（90.2K）：376

  4、表面张力（dyne/cm）：47.5

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：20.01

  7、单一同位素质量：174.079313 Da

  8、标称质量：174 Da

  9、平均质量：174.1992 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.9

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:3

  6.拓扑分子极性表面积41.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:229

  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

4,5-二氢-6-苯基-3(2H)-哒嗪酮毒性和生态

4,5-二氢-6-苯基-3(2H)-哒嗪酮生态学数据:

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

4,5-二氢-6-苯基-3(2H)-哒嗪酮安全信息

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26
• WGK德国: 3
• 海关编码: 2933990090

4,5-二氢-6-苯基-3(2H)-哒嗪酮海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 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: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4,5-二氢-6-苯基-3(2H)-哒嗪酮靶点实验

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4,5-二氢-6-苯基-3(2H)-哒嗪酮英文别名

• 6-Phenyl-4,5-dihydro-3(2H)-pyridazinone
• 3-phenyl-4,5-dihydro-1H-pyridazin-6-one
• 6-phenyl-2,3,4,5-tetrahydropyridazin-3-one
• MFCD00099597