4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene

• ChemBase编号: 9557
• 分子式: C8H3F13
• 平均质量: 346.0886616
• 单一同位素质量: 346.00271696
• SMILES: C(C(C(C(C(F)(F)F)(C(F)(F)F)C=C)(F)F)(F)F)(F)(F)F
• Canonical SMILES: C=CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C8H3F13/c1-2-3(6(13,14)15,7(16,17)18)4(9,10)5(11,12)8(19,20)21/h2H,1H2
• InChIKey: RUVAVKKRUIZRRS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
• IUPAC传统名: 4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
• 别名: 4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)-1-hexene; 1H,1H,2H-Heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene 97%

登记号

• CAS号: 79272-26-7
• MDL号: MFCD00155806
• PubChem SID: 160972864
• PubChem CID: 550456

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.0196457
• LogD (pH = 7.4): 5.0196457
• Log P: 5.0196457
• 摩尔折射率: 41.4075 cm^3
• 极化性: 15.136294 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 101-102°C

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%