[2-chloro-5-(trifluoromethyl)phenyl]hydrazine

• ChemBase编号: 94616
• 分子式: C7H6ClF3N2
• 平均质量: 210.5841496
• 单一同位素质量: 210.01716054
• SMILES: N(c1c(ccc(c1)C(F)(F)F)Cl)N
• Canonical SMILES: NNc1cc(ccc1Cl)C(F)(F)F
• InChI: InChI=1S/C7H6ClF3N2/c8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-3,13H,12H2
• InChIKey: PAPSYPXQNRTIRR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-chloro-5-(trifluoromethyl)phenyl]hydrazine
• IUPAC传统名: [2-chloro-5-(trifluoromethyl)phenyl]hydrazine
• 别名: 4-Chloro-3-hydrazinobenzotrifluoride; 2-Chloro-5-(trifluoromethyl)phenylhydrazine; 1-[2-chloro-5-(trifluoromethyl)phenyl]hydrazine; [2-chloro-5-(trifluoromethyl)phenyl]hydrazine

登记号

• CAS号: 1869-22-3
• MDL号: MFCD00052685
• PubChem SID: 162081270
• PubChem CID: 2060249

理论计算性质

• Acid pKa: 17.526056
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.7365847
• LogD (pH = 7.4): 2.8451688
• Log P: 2.8467815
• 摩尔折射率: 46.5432 cm^3
• 极化性: 16.08718 Å^3
• 极化表面积: 38.05 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: 65-68°C
• 疏水性(logP): 3.496

安全信息

• 保存注意事项: Toxic/Keep Cold

产品相关信息

• 纯度: 95%