1,2-dibromo-1,2,3,3,4,4-hexafluorocyclobutane

• ChemBase ID: 8727
• Molecular Formular: C4Br2F6
• Molecular Mass: 321.8412192
• Monoisotopic Mass: 319.82709332
• SMILES: C1(C(C(C1(Br)F)(Br)F)(F)F)(F)F
• Canonical SMILES: FC1(F)C(F)(F)C(C1(F)Br)(F)Br
• InChI: InChI=1S/C4Br2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
• InChIKey: HLCPJMKKTKDOGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1,2,3,3,4,4-hexafluorocyclobutane
• IUPAC Traditional name: 1,2-dibromo-1,2,3,3,4,4-hexafluorocyclobutane
• Synonyms: 1,2-Dibromohexafluorocyclobutane 97%; 1,2-Dibromohexafluorocyclobutane

Database IDs

• CAS Number: 377-40-2
• MDL Number: MFCD00236658
• PubChem SID: 160972034
• PubChem CID: 2736775

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.664392
• LogD (pH = 7.4): 3.664392
• Log P: 3.664392
• Molar Refractivity: 34.1422 cm^3
• Polarizability: 13.872511 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 93-95°C
• Density: 1.384
• Refractive Index: 1.3855

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%