1,4-dibromo-1,1,2,2,3,3,4,4-octafluorobutane

• ChemBase ID: 8729
• Molecular Formular: C4Br2F8
• Molecular Mass: 359.8380256
• Monoisotopic Mass: 357.82389976
• SMILES: BrC(C(C(C(Br)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(Br)(F)F)(F)F)(C(Br)(F)F)F
• InChI: InChI=1S/C4Br2F8/c5-3(11,12)1(7,8)2(9,10)4(6,13)14
• InChIKey: RWWUGYJWSVESJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-1,1,2,2,3,3,4,4-octafluorobutane
• IUPAC Traditional name: 1,4-dibromooctafluorobutane
• Synonyms: 1,4-Dibromooctafluorobutane 98%; 1,4-Dibromoperfluorobutane; 1,4-Dibromooctafluorobutane; 1,4-二溴八氟丁烷

Database IDs

• CAS Number: 335-48-8
• MDL Number: MFCD00153112
• Beilstein Number: 1777536
• PubChem SID: 160972036
• PubChem CID: 2736783

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1971216
• LogD (pH = 7.4): 4.1971216
• Log P: 4.1971216
• Molar Refractivity: 37.4918 cm^3
• Polarizability: 14.793492 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96-98°C; 97°C; 97°C/740mm
• Flash Point: none°C
• Density: 2.0979; 2.098
• Refractive Index: 1.3520; 2.0979

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 98%