1,2,3,4,5-pentafluoro-6-(prop-1-en-1-yl)benzene

• ChemBase编号: 98143
• 分子式: C9H5F5
• 平均质量: 208.128016
• 单一同位素质量: 208.03114126
• SMILES: Fc1c(c(c(c(c1F)F)F)F)/C=C/C
• Canonical SMILES: C/C=C/c1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H,1H3
• InChIKey: ARAOLTCZMIFYMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,3,4,5-pentafluoro-6-(prop-1-en-1-yl)benzene
• IUPAC传统名: 1,2,3,4,5-pentafluoro-6-(prop-1-en-1-yl)benzene
• 别名: 1-(Perfluorophenyl)prop-1-ene; 1-(Pentafluorophenyl)prop-1-ene; 1,2,3,4,5-Pentafluoro-6-(prop-1-en-1-yl)benzene; trans-1-(Perfluorophenyl)prop-1-ene; trans-1-(Pentafluorophenyl)prop-1-ene; 1,2,3,4,5,-Pentafluoro-6-[(1E)-prop-1-en-1-yl]benzene

登记号

• CAS号: 4683-67-4; 15948-70-6
• PubChem SID: 162084603
• PubChem CID: 15605809

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.8100924
• LogD (pH = 7.4): 3.8100924
• Log P: 3.8100924
• 摩尔折射率: 42.4998 cm^3
• 极化性: 14.587544 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 154-162°C; 86°C
• 密度: 1.374

安全信息

• 保存注意事项: Flammable/Harmful/Irritant

详细说明

Apollo Scientific Ltd - PC51069

Mixture of E/Z isomers