4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene

• ChemBase编号: 11816
• 分子式: C19H18F6
• 平均质量: 360.3366392
• 单一同位素质量: 360.1312699
• SMILES: c1(cc(ccc1C)C(c1cc(c(cc1)C)C)(C(F)(F)F)C(F)(F)F)C
• Canonical SMILES: Cc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)C)C
• InChI: InChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
• InChIKey: GLFKFHJEFMLTOB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
• IUPAC传统名: 4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
• 别名: 2,2-Bis(3,4-dimethylphenyl)hexafluoropropane; 2,2-Bis(3,4-dimethylphenyl)hexafluoropropane 95%

登记号

• CAS号: 65294-20-4
• MDL号: MFCD00042167
• PubChem SID: 160975123
• PubChem CID: 103356

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.4346457
• LogD (pH = 7.4): 7.4346457
• Log P: 7.4346457
• 摩尔折射率: 97.3431 cm^3
• 极化性: 30.919031 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 76-78°C
• 沸点: 110-120°C/2mm

安全信息

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

产品相关信息

• 纯度: 97%