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

• ChemBase ID: 9480
• Molecular Formular: C8BrF17
• Molecular Mass: 498.9624544
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
• IUPAC Traditional name: perflubron
• Synonyms: 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; 全氟溴辛烷; 全氟辛基溴; 1-溴十七氟辛烷; 1-溴全氟辛烷

Database IDs

• CAS Number: 423-55-2
• EC Number: 207-028-4
• MDL Number: MFCD00042082
• Beilstein Number: 2016022
• Merck Index: 147156
• PubChem SID: 24861212; 160972787
• PubChem CID: 9873

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.642633
• LogD (pH = 7.4): 6.642633
• Log P: 6.642633
• Molar Refractivity: 48.5205 cm^3
• Polarizability: 19.360888 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 6°C
• Boiling Point: 141-143°C; 142 °C(lit.); 142°C
• Flash Point: None
• Density: 1.93; 1.93 g/mL at 25 °C(lit.); 1.930
• Refractive Index: 1.305; 1.3050; n20/D 1.305(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: RG8700000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P280G-P305+P351+P338; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%; 98+%; 99%
• Linear Formula: CF3(CF2)7Br

DETAILS

Sigma Aldrich - 343862

Application
Oxygen carrier in emulsions used as blood substitutes.1
Packaging
1, 5 g in glass bottle