[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride

• ChemBase编号: 53418
• 分子式: C7H7Cl2F3N2
• 平均质量: 247.0450896
• 单一同位素质量: 245.99383825
• SMILES: C(c1cc(c(nc1)CN)Cl)(F)(F)F.Cl
• Canonical SMILES: NCc1ncc(cc1Cl)C(F)(F)F.Cl
• InChI: InChI=1S/C7H6ClF3N2.ClH/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;/h1,3H,2,12H2;1H
• InChIKey: DIEGHTBYTFRSDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride
• IUPAC传统名: [3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride
• 别名: [3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-methanamine hydrochloride; [3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methylamine hydrochloride; 2-(Aminomethyl)-3-chloro-5-(trifluoromethyl)pyridine hydrochloride 97%; [3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride; [3-chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride

登记号

• CAS号: 326476-49-7; 175277-74-4
• MDL号: MFCD00210134
• PubChem SID: 162058181
• PubChem CID: 11499744

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1273483
• LogD (pH = 7.4): 0.5356044
• Log P: 1.4447069
• 摩尔折射率: 42.6308 cm^3
• 极化性: 16.019657 Å^3
• 极化表面积: 38.91 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: 226-229°C

安全信息

• 保存条件: Store under N2
• 保存注意事项: IRRITANT; Toxic/Harmful
• TSCA收录: false

产品相关信息

• 纯度: >95%; 97%