1,4-dibromo-2,3-difluorobenzene

• ChemBase ID: 166962
• Molecular Formular: C6H2Br2F2
• Molecular Mass: 271.8848864
• Monoisotopic Mass: 269.8491305
• SMILES: c1cc(c(c(c1Br)F)F)Br
• Canonical SMILES: Fc1c(Br)ccc(c1F)Br
• InChI: InChI=1S/C6H2Br2F2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
• InChIKey: RGXGEFSBDPGCEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2,3-difluorobenzene
• IUPAC Traditional name: 1,4-dibromo-2,3-difluorobenzene
• Synonyms: 1,4-Dibromo-2,3-difluorobenzene

Database IDs

• CAS Number: 156682-52-9
• PubChem SID: 162261095
• PubChem CID: 18462393

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.796155
• LogD (pH = 7.4): 3.796155
• Log P: 3.796155
• Molar Refractivity: 41.7364 cm^3
• Polarizability: 16.112804 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - D425340

1,4-Dibromo-2,3-difluorobenzene is a halogenated benzene used in the preparation of various biologically active compounds such as non-nucleoside reverse transcriptase inhibitors. 1,4-Dibromo-2,3-difluorobenzene is also used in the synthesis of conjugated

REFERENCES

• Sweeney, Z.K. et al.: ChemMedChem, 4, 88 (2009)
• Li, Z. et al.: J. Mat. Chem., 21, 3226 (2009)