1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene

• ChemBase编号: 6439
• 分子式: C6F12
• 平均质量: 300.0450384
• 单一同位素质量: 299.98083864
• SMILES: C(=C(\C(C(F)(F)F)(F)C(F)(F)F)/F)(/C(F)(F)F)\F
• Canonical SMILES: F/C(=C(\C(C(F)(F)F)(C(F)(F)F)F)/F)/C(F)(F)F
• InChI: InChI=1S/C6F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/b2-1+
• InChIKey: SAPOZTRFWJZUFT-OWOJBTEDSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene; (2E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene
• IUPAC传统名: 1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene; (2E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene
• 别名: 全氟(4-甲基-2-戊烯), [(E):(Z) 9:1]; Nonafluoro-4-(trifluoromethyl)pent-2-ene; Perfluoro(4-methylpent-2-ene); Dodecafluoro(4-methyl-2-pentene); Perfluoro(4-methyl-2-pentene), [(E):(Z) 9:1]

登记号

• CAS号: 2070-70-4
• MDL号: MFCD00153253
• PubChem SID: 160969746
• PubChem CID: 2776241

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.2993956
• LogD (pH = 7.4): 3.2993956
• Log P: 3.2993956
• 摩尔折射率: 33.0535 cm^3
• 极化性: 11.834584 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: true

分子性质

理化性质

• 沸点: 49°C
• 闪点: none°C
• 密度: 1.5873
• 折射率: <1.3000

安全信息

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

产品相关信息

• 纯度: 90%; 90+%, cont 5-10% perfluoro(2-methyl-2-pentene)

详细说明

Apollo Scientific Ltd - PC6122R

Contains 5-10% Perfluoro(2-methylpent-2-ene)