1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane

• ChemBase编号: 9341
• 分子式: C8HF17
• 平均质量: 420.0663944
• 单一同位素质量: 419.98067977
• 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
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
• InChIKey: KBHBUUBXEQUIMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane
• 别名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟辛烷; 1H-全氟辛烷; 1H-Perfluorooctane; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane; 1H-Perfluorooctane 98%; 1H-Perfluorooctane

登记号

• CAS号: 335-65-9
• EC号: 206-395-8
• MDL号: MFCD00042109
• Beilstein号: 1716856
• PubChem SID: 24868731; 160972648
• PubChem CID: 101652

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.796813
• LogD (pH = 7.4): 5.796813
• Log P: 5.796813
• 摩尔折射率: 39.9875 cm^3
• 极化性: 16.091858 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

• 沸点: 110-112°C; 118 °C(lit.)
• 闪点: 113 °C; 113°C; 235.4 °F
• 密度: 1.758; 1.758 g/mL at 25 °C(lit.)
• 折射率: 1.3000; n20/D 1.300(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37/39
• TSCA收录: false
• 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
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 98%; 99%
• 线性分子式: CF3(CF2)7H

详细说明

Apollo Scientific Ltd - PC6140B

R. N. Haszeldine, J. Chem. Soc., 1953, 3761.

Sigma Aldrich - 452858

包装
1 g in glass bottle