1,2,4,5-tetrakis(trifluoromethyl)benzene

• ChemBase编号: 21457
• 分子式: C10H2F12
• 平均质量: 350.1037184
• 单一同位素质量: 349.9964887
• SMILES: c1(c(cc(c(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(c1cc(c(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C10H2F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)2-5(3)9(17,18)19/h1-2H
• InChIKey: GSZSSHONEMLEPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,4,5-tetrakis(trifluoromethyl)benzene
• IUPAC传统名: 1,2,4,5-tetrakis(trifluoromethyl)benzene
• 别名: 1,2,4,5-Tetrakis(trifluoromethyl)benzene

登记号

• CAS号: 320-23-0
• MDL号: MFCD08458697
• PubChem SID: 160984764
• PubChem CID: 11057220

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.4846396
• LogD (pH = 7.4): 5.4846396
• Log P: 5.4846396
• 摩尔折射率: 49.9528 cm^3
• 极化性: 17.075014 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: 72-74°C
• 疏水性(logP): 5.674

安全信息

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

产品相关信息

• 纯度: 95%; 97%