1-[4-(bromomethyl)phenyl]-2-fluorobenzene

• ChemBase ID: 297160
• Molecular Formular: C13H10BrF
• Molecular Mass: 265.1209032
• Monoisotopic Mass: 263.99499054
• SMILES: c1ccc(c(c1)c1ccc(cc1)CBr)F
• Canonical SMILES: BrCc1ccc(cc1)c1ccccc1F
• InChI: InChI=1S/C13H10BrF/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15/h1-8H,9H2
• InChIKey: SAUALJYDYRRWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(bromomethyl)phenyl]-2-fluorobenzene
• IUPAC Traditional name: 1-[4-(bromomethyl)phenyl]-2-fluorobenzene
• Synonyms: 4-Bromomethyl-2'-fluorobiphenyl

Database IDs

• MDL Number: MFCD15146811
• PubChem SID: 180682691
• PubChem CID: 18680932

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5359106
• LogD (pH = 7.4): 4.5359106
• Log P: 4.5359106
• Molar Refractivity: 64.261 cm^3
• Polarizability: 25.34285 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-74°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%