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

• ChemBase编号: 9480
• 分子式: C8BrF17
• 平均质量: 498.9624544
• 单一同位素质量: 497.89119174
• SMILES: FC(C(C(C(C(C(C(C(Br)(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(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
• InChIKey: WTWWXOGTJWMJHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
• IUPAC传统名: perflubron
• 别名: 全氟溴辛烷; 全氟辛基溴; 1-溴十七氟辛烷; 1-溴全氟辛烷; 1-Bromoperfluorooctane; 1-Bromoperfluorooctane; 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane; Perfluorooctyl bromide 99%; Heptadecafluorooctyl bromide; Perfluorooctyl bromide; 1-Bromoheptadecafluorooctane; Perflubron; 1-Bromoperfluorooctane

登记号

• CAS号: 423-55-2
• EC号: 207-028-4
• MDL号: MFCD00042082
• Beilstein号: 2016022
• 默克索引号: 147156
• PubChem SID: 24861212; 160972787
• PubChem CID: 9873

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.642633
• LogD (pH = 7.4): 6.642633
• Log P: 6.642633
• 摩尔折射率: 48.5205 cm^3
• 极化性: 19.360888 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: 6°C
• 沸点: 141-143°C; 142 °C(lit.); 142°C
• 闪点: None
• 密度: 1.93; 1.93 g/mL at 25 °C(lit.); 1.930
• 折射率: 1.305; 1.3050; n20/D 1.305(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• RTECS编号: RG8700000
• 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: 23-26-37; 26-37/39
• TSCA收录: false; 否
• 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-P280G-P305+P351+P338; 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%; 98+%; 99%
• 线性分子式: CF3(CF2)7Br

详细说明

Sigma Aldrich - 343862

Application
乳液中的氧载体，可作为血液代用品。1
包装
1, 5 g in glass bottle