1,5-dibromo-2,2,3,3,4,4-hexafluoropentane

• ChemBase ID: 11889
• Molecular Formular: C5H4Br2F6
• Molecular Mass: 337.8836792
• Monoisotopic Mass: 335.85839345
• SMILES: C(C(C(C(CBr)(F)F)(F)F)(F)F)Br
• Canonical SMILES: BrCC(C(C(CBr)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H4Br2F6/c6-1-3(8,9)5(12,13)4(10,11)2-7/h1-2H2
• InChIKey: QMSMXOXREPKYSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromo-2,2,3,3,4,4-hexafluoropentane
• IUPAC Traditional name: 1,5-dibromo-2,2,3,3,4,4-hexafluoropentane
• Synonyms: 1,5-Dibromo-2,2,3,3,4,4-hexafluoropentane; 1,5-Dibromo-2,2,3,3,4,4-hexafluoropentane; 1,5-Dibromo-1H,1H,5H,5H-perfluoropentane 97%

Database IDs

• CAS Number: 33619-78-2
• MDL Number: MFCD03095411
• PubChem SID: 160975196
• PubChem CID: 2758035

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9734232
• LogD (pH = 7.4): 3.9734232
• Log P: 3.9734232
• Molar Refractivity: 40.6266 cm^3
• Polarizability: 16.051434 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92°C/47mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%