4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

• ChemBase编号: 9821
• 分子式: C14H6F6I2
• 平均质量: 541.9967992
• 单一同位素质量: 541.84631551
• SMILES: c1(c2c(cc(cc2)I)C(F)(F)F)c(cc(cc1)I)C(F)(F)F
• Canonical SMILES: Ic1ccc(c(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)I
• InChI: InChI=1S/C14H6F6I2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H
• InChIKey: OQUYDTUCILYGGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
• IUPAC传统名: 4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
• 别名: 2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl; 2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl 98%

登记号

• CAS号: 89803-70-3
• MDL号: MFCD00236673
• PubChem SID: 160973128
• PubChem CID: 2736149

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.234057
• LogD (pH = 7.4): 7.234057
• Log P: 7.234057
• 摩尔折射率: 89.8666 cm^3
• 极化性: 34.539223 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

安全信息

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

产品相关信息

• 纯度: 97%