(4-methanesulfonylphenyl)hydrazine hydrochloride

• ChemBase编号: 10158
• 分子式: C7H11ClN2O2S
• 平均质量: 222.69244
• 单一同位素质量: 222.02297628
• SMILES: S(=O)(=O)(c1ccc(cc1)NN)C.Cl
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C7H10N2O2S.ClH/c1-12(10,11)7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
• InChIKey: QVCMFSJTNVQJFG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methanesulfonylphenyl)hydrazine hydrochloride
• IUPAC传统名: (4-methanesulfonylphenyl)hydrazine hydrochloride
• 别名: 4-(Methylsulphonyl)phenylhydrazine hydrochloride; 4-Hydrazino-1-(methylsulphonyl)benzene hydrochloride; 4-Methylsulfonylphenylhydrazine hydrochloride; (4-(Methylsulfonyl)phenyl)hydrazine hydrochloride

登记号

• CAS号: 877-66-7; 17852-67-4
• MDL号: MFCD00216494
• PubChem SID: 160973465
• PubChem CID: 2735181

理论计算性质

• Acid pKa: 18.372124
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.14005873
• LogD (pH = 7.4): 0.20431304
• Log P: 0.20519696
• 摩尔折射率: 49.7683 cm^3
• 极化性: 18.888123 Å^3
• 极化表面积: 72.19 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 202°C(dec); 202(dec.)°C

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 95+%