1,4-dibromo-2-chloro-1,1-difluorobutane

• ChemBase ID: 11887
• Molecular Formular: C4H5Br2ClF2
• Molecular Mass: 286.3403064
• Monoisotopic Mass: 283.84145828
• SMILES: C(C(CCBr)Cl)(F)(F)Br
• Canonical SMILES: BrCCC(C(Br)(F)F)Cl
• InChI: InChI=1S/C4H5Br2ClF2/c5-2-1-3(7)4(6,8)9/h3H,1-2H2
• InChIKey: JVPZSXBOASTUNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2-chloro-1,1-difluorobutane
• IUPAC Traditional name: 1,4-dibromo-2-chloro-1,1-difluorobutane
• Synonyms: 1,4-Dibromo-2-chloro-1,1-difluorobutane 97%; 2-Chloro-1,4-dibromo-1,1-difluorobutane

Database IDs

• CAS Number: 883499-16-9
• MDL Number: MFCD04038278
• PubChem SID: 160975194
• PubChem CID: 2782287

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1178823
• LogD (pH = 7.4): 3.1178823
• Log P: 3.1178823
• Molar Refractivity: 41.2681 cm^3
• Polarizability: 16.006634 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%