tetradecafluorohexane

• ChemBase编号: 8367
• 分子式: C6F14
• 平均质量: 338.0418448
• 单一同位素质量: 337.97764508
• SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
• InChIKey: ZJIJAJXFLBMLCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetradecafluorohexane
• IUPAC传统名: perfluorohexane
• 别名: 全氟己烷; 十四氟己烷; 全氟己烷; PERFLUORO-n-HEXANE; Perfluorohexane; Tetradecafluorohexane; Perfluorohexane 98% Mixed isomers; Perfluorohexane 98.5% n-isomer; Tetradecafluorohexanes; Perfluorohexanes; FlutecR PP1; FluorinertR(FC-72); Perfluorohexane; FC-72; Fluorinert FC-72; Flutec PP1; Perfluoro-compound FC-72

登记号

• CAS号: 355-42-0
• EC号: 206-585-0
• MDL号: MFCD00000437
• Beilstein号: 1802113
• PubChem SID: 24863232; 24887164; 24856965; 160971674
• PubChem CID: 9639
• CHEBI ID: 39427
• Chemspider ID: 9262
• KEGG ID: D05437
• 美国药典/FDA物质标识码: FX3WJ41CMX
• 维基百科标题: Perfluorohexane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.8842883
• LogD (pH = 7.4): 4.8842883
• Log P: 4.8842883
• 摩尔折射率: 31.5412 cm^3
• 极化性: 12.458858 Å^3
• 极化表面积: 0.0 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

• 外观: Clear colorless liquid
• 熔点: -4 °C(lit.); -4°C; -4°C; -90°C
• 沸点: 56°C; 57°C; 58-60 °C(lit.); 58-60°C; 58-60°C; 59-60°C
• 闪点: None; none°C
• 密度: 1.669; 1.669 g/mL at 25 °C(lit.); 1.680; 1.699; 1.71
• 折射率: 1.2383; 1.251; 1.2510; 1.252; 1.2520; n20/D 1.252(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• RTECS编号: MO4310000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37-60
• TSCA收录: true; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ~85% perfluoro-n-hexane basis; 95%; 98+%; 99%
• 级别: purum
• 杂质: 5% perfluoropentane
• 线性分子式: CF3(CF2)4CF3

详细说明

MP Biomedicals - 05222289

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC6072

Mixed isomers, ca 85% n-isomer. Non-toxic, non-ozone depleting alternative to carbontetrachloride for bromination reaction, ask for reference.

Apollo Scientific Ltd - PC3312I

(Fluorinert is a registered trademark of 3M)

Sigma Aldrich - 281042

Application
用于研究沸腾传热机制，1作为光敏剂用于氟两相单重态氧反应2以及作为新型反应介质用于光氧化反应。3
包装
25 mL in ampule

Sigma Aldrich - 379247

Other Notes
含有全氟代环己烷
包装
50 mL in ampule

参考文献

• Non-toxic, non-ozone-depleting alternative to carbon tetrachloride in bromination reactions: Synth. Commun., 25, 1023 (1995).
• 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).