1-bromo-3-(bromomethyl)-5-fluorobenzene

• ChemBase ID: 100608
• Molecular Formular: C7H5Br2F
• Molecular Mass: 267.9210032
• Monoisotopic Mass: 265.87420238
• SMILES: BrCc1cc(cc(c1)F)Br
• Canonical SMILES: BrCc1cc(F)cc(c1)Br
• InChI: InChI=1S/C7H5Br2F/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
• InChIKey: DAUWIPUGOIFZNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(bromomethyl)-5-fluorobenzene
• IUPAC Traditional name: 1-bromo-3-(bromomethyl)-5-fluorobenzene
• Synonyms: 3-Bromo-5-fluorobenzyl bromide 98%; 1-bromo-3-(bromomethyl)-5-fluorobenzene; 3-Fluoro-5-bromobenzyl bromide

Database IDs

• CAS Number: 216755-57-6
• MDL Number: MFCD09258959
• PubChem SID: 162087349
• PubChem CID: 23509619

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6574378
• LogD (pH = 7.4): 3.6574378
• Log P: 3.6574378
• Molar Refractivity: 46.7476 cm^3
• Polarizability: 17.789474 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.93

Safety Information

• Storage Warning: Corrosive/Lachrymatory

Product Information

• Purity: 95%