octadecafluorooctane

• ChemBase编号: 8868
• 分子式: C8F18
• 平均质量: 438.0568576
• 单一同位素质量: 437.97125796
• SMILES: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
• InChIKey: YVBBRRALBYAZBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: octadecafluorooctane
• IUPAC传统名: perfluorooctane
• 别名: 十八氟辛烷; 全氟辛烷; 全氟正辛烷; 全氟辛烷分馏物; 十八氟辛烷分馏物; Perfluorooctane; Octadecafluoro-n-octane; Perfluorooctane 90%; Perfluorooctane 98%; Perfluorooctane; Perfluoro-n-octane; PF5080; Perfluorooctane fraction; Octadecafluorooctane Fraction; Octadecafluorooctane; Perfluorooctane 99%

登记号

• CAS号: 307-34-6; 156930-33-5
• EC号: 206-199-2
• MDL号: MFCD00042083
• Beilstein号: 1717142
• PubChem SID: 24887175; 24862060; 160972175
• PubChem CID: 9387
• CHEBI ID: 38826
• Chemspider ID: 9018
• 美国药典/FDA物质标识码: 6P60ZBK0QL
• 维基百科标题: Perfluorooctane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.2855735
• LogD (pH = 7.4): 6.2855735
• Log P: 6.2855735
• 摩尔折射率: 40.8772 cm^3
• 极化性: 16.294165 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -25 °C; -25 °C(lit.)
• 沸点: 100°C; 103-104 °C; 103-104 °C(lit.); 103-106 °C(lit.); 99-100°C; 99-100°C; 99-105°C
• 闪点: none°C
• 密度: 1.5 g/ml; 1.73; 1.730; 1.766 g/mL; 1.766 g/mL at 25 °C(lit.)
• 折射率: 1.282; 1.2820; n20/D 1.3(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• RTECS编号: RG9701000
• 德国WGK号: 3
• 安全公开号: S23 S24/25
• TSCA收录: false; 是
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ≥97.0% (GC); 98%; 99+%
• 主要成分: C5-, C6-, C7-homologues, ~30%; octadecafluorooctane, ~70%
• 线性分子式: CF3(CF2)6CF3

详细说明

MP Biomedicals - 05224381

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC6140A

Solvent with ability to solubilise molecular oxygen e.g.photooxidation of alkene / epoxidation of alkenes.Synth. Commun., 26, 1861 (1996), ibid 27, 447 (1997).. Mixed isomers

Sigma Aldrich - 359238

包装
25, 100 g in glass bottle

Sigma Aldrich - 77286

包装
50 mL in glass bottle

参考文献

• Reaction medium with substantial capacity to solubilize molecular oxygen as in the photooxidation of alkenes: Synth. Commun., 26, 1861 (1996), or the high yield epoxidation of alkenes in the presence of trimethylacetaldehyde: Synth. Commun., 27, 447 (1997).