2-bromo-6-fluoronaphthalene

• ChemBase ID: 29988
• Molecular Formular: C10H6BrF
• Molecular Mass: 225.0570432
• Monoisotopic Mass: 223.96369041
• SMILES: c12c(cc(cc2)F)ccc(c1)Br
• Canonical SMILES: Fc1ccc2c(c1)ccc(c2)Br
• InChI: InChI=1S/C10H6BrF/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6H
• InChIKey: CAJAZWLCCNCVEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-fluoronaphthalene
• IUPAC Traditional name: 2-bromo-6-fluoronaphthalene
• Synonyms: 2-Bromo-6-fluoronaphthalene

Database IDs

• CAS Number: 324-41-4
• MDL Number: MFCD09763683
• PubChem SID: 160993295
• PubChem CID: 345397

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8741772
• LogD (pH = 7.4): 3.8741772
• Log P: 3.8741772
• Molar Refractivity: 50.3474 cm^3
• Polarizability: 20.19617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-67°C
• Boiling Point: 286°C
• Density: 1.563

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%