1,4-dibromo-2-(difluoromethyl)benzene

• ChemBase ID: 54691
• Molecular Formular: C7H4Br2F2
• Molecular Mass: 285.9114664
• Monoisotopic Mass: 283.86478057
• SMILES: c1(c(cc(cc1)Br)C(F)F)Br
• Canonical SMILES: Brc1ccc(c(c1)C(F)F)Br
• InChI: InChI=1S/C7H4Br2F2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
• InChIKey: IEPCGLUJNSMWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2-(difluoromethyl)benzene
• IUPAC Traditional name: 1,4-dibromo-2-(difluoromethyl)benzene
• Synonyms: 1,4-Dibromo-2-(difluoromethyl)benzene

Database IDs

• CAS Number: 1214383-36-4
• MDL Number: MFCD14698561
• PubChem SID: 162059454
• PubChem CID: 46311695

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8998392
• LogD (pH = 7.4): 3.8998392
• Log P: 3.8998392
• Molar Refractivity: 46.3876 cm^3
• Polarizability: 17.880388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%