(2,4,5-trifluorophenyl)hydrazine hydrochloride

• ChemBase编号: 242850
• 分子式: C6H6ClF3N2
• 平均质量: 198.5734496
• 单一同位素质量: 198.01716054
• SMILES: c1(cc(c(cc1F)F)F)NN.Cl
• Canonical SMILES: NNc1cc(F)c(cc1F)F.Cl
• InChI: InChI=1S/C6H5F3N2.ClH/c7-3-1-5(9)6(11-10)2-4(3)8;/h1-2,11H,10H2;1H
• InChIKey: LBNDNZBABIMTRL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,4,5-trifluorophenyl)hydrazine hydrochloride
• IUPAC传统名: (2,4,5-trifluorophenyl)hydrazine hydrochloride
• 别名: (2,4,5-trifluorophenyl)hydrazine hydrochloride

登记号

• MDL号: MFCD22578527
• PubChem SID: 164298760
• PubChem CID: 68811486

理论计算性质

• Acid pKa: 15.647682
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.7317691
• LogD (pH = 7.4): 1.7919888
• Log P: 1.7929943
• 摩尔折射率: 36.4139 cm^3
• 极化性: 12.22058 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 174 - 176°C
• 疏水性(logP): 2.069

产品相关信息

• 纯度: 95%