[2-fluoro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase编号: 811084
• 分子式: C7H7ClF4N2
• 平均质量: 230.5904928
• 单一同位素质量: 230.02338879
• SMILES: Cl.NNc1c(ccc(c1)C(F)(F)F)F
• Canonical SMILES: NNc1cc(ccc1F)C(F)(F)F.Cl
• InChI: InChI=1S/C7H6F4N2.ClH/c8-5-2-1-4(7(9,10)11)3-6(5)13-12;/h1-3,13H,12H2;1H
• InChIKey: ZUOCTQRDIMYXMG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC传统名: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride
• 别名: (2-FLUORO-5-TRIFLUOROMETHYL-PHENYL)-HYDRAZINE HYDROCHLORIDE

理论计算性质

• Acid pKa: 15.900446
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.3079808
• LogD (pH = 7.4): 2.3843725
• Log P: 2.385439
• 摩尔折射率: 41.9548 cm^3
• 极化性: 13.997319 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%