(2E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene

• ChemBase ID: 11888
• Molecular Formular: C4Br2F6
• Molecular Mass: 321.8412192
• Monoisotopic Mass: 319.82709332
• SMILES: C(/C(=C(/C(Br)(F)F)\F)/F)(Br)(F)F
• Canonical SMILES: F/C(=C(\C(Br)(F)F)/F)/C(Br)(F)F
• InChI: InChI=1S/C4Br2F6/c5-3(9,10)1(7)2(8)4(6,11)12/b2-1+
• InChIKey: BDJHSJLEJXRSSG-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene; 1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene
• IUPAC Traditional name: (2E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene; 1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene
• Synonyms: 1,4-Dibromohexafluoro-2-butene; 1,4-Dibromohexafluorobut-2-ene 97%

Database IDs

• CAS Number: 360-87-2
• MDL Number: MFCD04038279
• PubChem SID: 160975195
• PubChem CID: 2783195

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8738928
• LogD (pH = 7.4): 2.8738928
• Log P: 2.8738928
• Molar Refractivity: 38.73 cm^3
• Polarizability: 14.240578 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

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

Product Information

• Purity: 97%