2-bromo-1-fluoronaphthalene

• ChemBase ID: 100316
• Molecular Formular: C10H6BrF
• Molecular Mass: 225.0570432
• Monoisotopic Mass: 223.96369041
• SMILES: Fc1c(ccc2ccccc12)Br
• Canonical SMILES: Brc1ccc2c(c1F)cccc2
• InChI: InChI=1S/C10H6BrF/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
• InChIKey: WPNSUUQOEPQDOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-fluoronaphthalene
• IUPAC Traditional name: 2-bromo-1-fluoronaphthalene
• Synonyms: 2-Bromo-1-fluoronaphthalene

Database IDs

• CAS Number: 317-79-3
• MDL Number: MFCD09864690
• PubChem SID: 162086590
• PubChem CID: 44717716

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: 20.20739 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -4°C
• Boiling Point: 164°C/2mm

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive

Product Information

• Purity: 97%