1,2-dibromo-4-fluorobenzene

• ChemBase ID: 100766
• Molecular Formular: C6H3Br2F
• Molecular Mass: 253.8944232
• Monoisotopic Mass: 251.85855232
• SMILES: Brc1c(cc(cc1)F)Br
• Canonical SMILES: Fc1ccc(c(c1)Br)Br
• InChI: InChI=1S/C6H3Br2F/c7-5-2-1-4(9)3-6(5)8/h1-3H
• InChIKey: RNTGKISRXVFIIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-4-fluorobenzene
• IUPAC Traditional name: 1,2-dibromo-4-fluorobenzene
• Synonyms: 1,2-Dibromo-4-fluorobenzene 99%; 3,4-Dibromofluorobenzene; 1,2-Dibromo-4-fluorobenzene; 1,2-Dibromo-4-fluorobenzene; 1,2-二溴-4-氟代苯

Database IDs

• CAS Number: 2369-37-1
• EC Number: 219-131-1
• MDL Number: MFCD00070780
• PubChem SID: 162086783
• PubChem CID: 75402

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.653453
• LogD (pH = 7.4): 3.653453
• Log P: 3.653453
• Molar Refractivity: 41.52 cm^3
• Polarizability: 16.123352 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 95+%; 98%