[3,5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase编号: 9511
• 分子式: C8H7ClF6N2
• 平均质量: 280.5979992
• 单一同位素质量: 280.02019523
• SMILES: c1(cc(cc(c1)NN)C(F)(F)F)C(F)(F)F.Cl
• Canonical SMILES: NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F.Cl
• InChI: InChI=1S/C8H6F6N2.ClH/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15;/h1-3,16H,15H2;1H
• InChIKey: OPIOKSFIERNABH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3,5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC传统名: [3,5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride
• 别名: 3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride; 3,5-Ditrifluoromethylphenylhydrazine hydrochloride; (3,5-bis(trifluoromethyl)phenyl)hydrazine hydrochloride

登记号

• CAS号: 886-35-1; 502496-23-3
• MDL号: MFCD03094165
• PubChem SID: 160972818
• PubChem CID: 12494556

理论计算性质

• Acid pKa: 19.875715
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.9732144
• LogD (pH = 7.4): 3.1183815
• Log P: 3.1205854
• 摩尔折射率: 47.7121 cm^3
• 极化性: 15.758318 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

理化性质

• 熔点: 80-83°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 98%
• 成盐信息: HCl