(2-methanesulfonylphenyl)hydrazine hydrochloride

• ChemBase编号: 21956
• 分子式: C7H11ClN2O2S
• 平均质量: 222.69244
• 单一同位素质量: 222.02297628
• SMILES: c1ccc(c(c1)NN)S(=O)(=O)C.Cl
• Canonical SMILES: NNc1ccccc1S(=O)(=O)C.Cl
• InChI: InChI=1S/C7H10N2O2S.ClH/c1-12(10,11)7-5-3-2-4-6(7)9-8;/h2-5,9H,8H2,1H3;1H
• InChIKey: DLYJMGLPKICRLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methanesulfonylphenyl)hydrazine hydrochloride
• IUPAC传统名: (2-methanesulfonylphenyl)hydrazine hydrochloride
• 别名: N'-[2-(Methylsulfonyl)phenyl]hydrazine hydrochloride; 2-Hydrazinophenyl methyl sulphone hydrochloride; 2-(Methylsulphonyl)phenylhydrazine hydrochloride; (2-methanesulfonylphenyl)hydrazine hydrochloride

登记号

• MDL号: MFCD08459596
• PubChem SID: 160985263
• PubChem CID: 22600947

理论计算性质

• Acid pKa: 15.39111
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.18916231
• LogD (pH = 7.4): 0.20492949
• Log P: 0.20519696
• 摩尔折射率: 49.7683 cm^3
• 极化性: 18.890642 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: 189-190°C
• 疏水性(logP): 0.38

安全信息

• 保存注意事项: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA收录: false

产品相关信息

• 纯度: 95%