3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine

• ChemBase编号: 9567
• 分子式: C7H7ClF3N3
• 平均质量: 225.5987896
• 单一同位素质量: 225.02805958
• SMILES: c1(cnc(c(c1)Cl)N(N)C)C(F)(F)F
• Canonical SMILES: CN(c1ncc(cc1Cl)C(F)(F)F)N
• InChI: InChI=1S/C7H7ClF3N3/c1-14(12)6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,12H2,1H3
• InChIKey: YGPUMJSRBNTPNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine
• IUPAC传统名: 3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine
• 别名: 1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]-1-methylhydrazine; 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-methylhydrazine; 3-Chloro-2-(1-methylhydrazino)-5-(trifluoromethyl)pyridine 97%; 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-methylhydrazine; 3-Chloro-2-(1-Methylhydrazinyl)-5-(trifluoroMethyl)pyridine

登记号

• CAS号: 138949-13-0
• MDL号: MFCD00052293
• PubChem SID: 160972874
• PubChem CID: 2736703

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.049285
• LogD (pH = 7.4): 2.2667994
• Log P: 2.2704828
• 摩尔折射率: 58.5051 cm^3
• 极化性: 17.117353 Å^3
• 极化表面积: 42.15 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

• 沸点: 72°C/0.5mm

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%