[2,5-bis(trifluoromethyl)phenyl]hydrazine

• ChemBase编号: 799626
• 分子式: C8H6F6N2
• 平均质量: 244.1370592
• 单一同位素质量: 244.04351752
• SMILES: NNc1c(ccc(c1)C(F)(F)F)C(F)(F)F
• Canonical SMILES: NNc1cc(ccc1C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C8H6F6N2/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)16-15/h1-3,16H,15H2
• InChIKey: KMKKQMBWSXMVDT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2,5-bis(trifluoromethyl)phenyl]hydrazine
• IUPAC传统名: [2,5-bis(trifluoromethyl)phenyl]hydrazine
• 别名: (2,5-bis(trifluoromethyl)phenyl)hydrazine

登记号

• CAS号: 711602-67-4

理论计算性质

• Acid pKa: 17.524128
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.0094337
• LogD (pH = 7.4): 3.1189933
• Log P: 3.1205854
• 摩尔折射率: 47.7121 cm^3
• 极化性: 15.759047 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%