[2-chloro-4-(trifluoromethyl)phenyl]hydrazine

• ChemBase编号: 7433
• 分子式: C7H6ClF3N2
• 平均质量: 210.5841496
• 单一同位素质量: 210.01716054
• SMILES: c1cc(cc(c1NN)Cl)C(F)(F)F
• Canonical SMILES: NNc1ccc(cc1Cl)C(F)(F)F
• InChI: InChI=1S/C7H6ClF3N2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,13H,12H2
• InChIKey: KSESZRGARIEOFC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-chloro-4-(trifluoromethyl)phenyl]hydrazine
• IUPAC传统名: [2-chloro-4-(trifluoromethyl)phenyl]hydrazine
• 别名: 1-[2-chloro-4-(trifluoromethyl)phenyl]hydrazine; 2-Chloro-4-(trifluoromethyl)phenyl hydrazine; 3-Chloro-4-hydrazinobenzotrifluoride; 2-Chloro-4-(trifluoromethyl)phenylhydrazine 97%

登记号

• CAS号: 86398-98-3
• MDL号: MFCD00052916
• PubChem SID: 160970740
• PubChem CID: 2736687

理论计算性质

• Acid pKa: 18.091751
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.7232108
• LogD (pH = 7.4): 2.8449647
• Log P: 2.8467815
• 摩尔折射率: 46.5432 cm^3
• 极化性: 16.089067 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: 39-41°C
• 沸点: 80-85°C/0.25mm

安全信息

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

产品相关信息

• 纯度: 95%; 97%