(4-nitrophenyl)hydrazine hydrochloride

• ChemBase编号: 19162
• 分子式: C6H8ClN3O2
• 平均质量: 189.59962
• 单一同位素质量: 189.03050419
• SMILES: Cl.c1c(ccc(c1)NN)[N+](=O)[O-]
• Canonical SMILES: NNc1ccc(cc1)[N+](=O)[O-].Cl
• InChI: InChI=1S/C6H7N3O2.ClH/c7-8-5-1-3-6(4-2-5)9(10)11;/h1-4,8H,7H2;1H
• InChIKey: ZWWXDCOPVYATOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-nitrophenyl)hydrazine hydrochloride
• IUPAC传统名: hydrazine, (4-nitrophenyl)- hydrochloride
• 别名: (4-Nitrophenyl)hydrazine hydrochloride; p-Nitrophenylhydrazine Hydrochloride; 4-Nitrophenylhydrazine hydrochloride; 4-Hydrazinonitrobenzene hydrochloride

登记号

• CAS号: 636-99-7
• MDL号: MFCD00040592
• PubChem SID: 160982469
• PubChem CID: 5463401

理论计算性质

• Acid pKa: 17.980965
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.1777129
• LogD (pH = 7.4): 1.3030163
• Log P: 1.3048726
• 摩尔折射率: 42.0852 cm^3
• 极化性: 14.791496 Å^3
• 极化表面积: 81.19 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

• 溶解度: DMSO; Methanol; Water
• 外观: Brown Solid
• 熔点: 191-193°C (dec.); 198-200(dec.)°C; 205-207°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: IRRITANT; Toxic/Harmful/Irritant/Moisture Sensitive/Store under Argon/Keep Cold
• TSCA收录: false

产品相关信息

• 纯度: 97%; 98%

详细说明

Toronto Research Chemicals - N503770

4-Nitrophenylhydrazine is a nitro substituted aryl hydrazine with potential anticancer activity.

参考文献

• Gohil, V.M. et al.: Ind. J. Exp. Biol., 48, 265 (2010)