1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one

• ChemBase编号: 12091
• 分子式: C6F12O
• 平均质量: 316.0444384
• 单一同位素质量: 315.97575326
• SMILES: C(C(C(=O)C(C(F)(F)F)(F)F)(C(F)(F)F)F)(F)(F)F
• Canonical SMILES: O=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
• InChIKey: RMLFHPWPTXWZNJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one
• IUPAC传统名: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one
• 别名: Perfluoro(2-methyl-3-pentanone); Heptafluoroisopropyl pentafluoroethyl ketone; Perfluoro(2-methyl-3-pentanone) 98%; perfluoro(2-methyl-3-pentanone); heptafluoroisopropyl pentafluoroethyl ketone,; Novec 1230

登记号

• CAS号: 756-13-8
• MDL号: MFCD04038343
• PubChem SID: 160975398
• PubChem CID: 2782408
• Chemspider ID: 2062563
• 维基百科标题: Novec_1230

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.2112017
• LogD (pH = 7.4): 4.2112017
• Log P: 4.2112017
• 摩尔折射率: 32.4933 cm^3
• 极化性: 12.411102 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -108°C
• 沸点: 49°C
• 密度: 1.6; 1.723; 1.723 g/cm^3

安全信息

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

产品相关信息

• 纯度: 98%