(fluoromethyl)benzene

• ChemBase ID: 93356
• Molecular Formular: C7H7F
• Molecular Mass: 110.1288832
• Monoisotopic Mass: 110.05317844
• SMILES: FCc1ccccc1
• Canonical SMILES: FCc1ccccc1
• InChI: InChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
• InChIKey: MBXXQYJBFRRFCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (fluoromethyl)benzene
• IUPAC Traditional name: benzyl fluoride
• Synonyms: Benzyl fluoride; α-fluorotoluene; BnF

Database IDs

• CAS Number: 350-50-5
• EC Number: 206-503-3
• MDL Number: MFCD00013579
• PubChem SID: 162080041
• PubChem CID: 9591
• Chemspider ID: 9215
• Wikipedia Title: Benzyl_fluoride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0969877
• LogD (pH = 7.4): 2.0969877
• Log P: 2.0969877
• Molar Refractivity: 31.1818 cm^3
• Polarizability: 11.839438 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -35 °C
• Boiling Point: 140 °C
• Density: 1.0228 g/cm^3

Safety Information

• Storage Warning: Irritant