1-fluoro-2-phenoxybenzene

• ChemBase ID: 8528
• Molecular Formular: C12H9FO
• Molecular Mass: 188.1976632
• Monoisotopic Mass: 188.06374313
• SMILES: c1ccc(c(c1)Oc1ccccc1)F
• Canonical SMILES: Fc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C12H9FO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
• InChIKey: PVFAQWWQJZQMBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-phenoxybenzene
• IUPAC Traditional name: 1-fluoro-2-phenoxybenzene
• Synonyms: 1-Fluoro-2-phenoxybenzene; 2-Fluorodiphenyl ether

Database IDs

• CAS Number: 124330-20-7
• MDL Number: MFCD00236610
• PubChem SID: 160971835
• PubChem CID: 2758983

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.616235
• LogD (pH = 7.4): 3.616235
• Log P: 3.616235
• Molar Refractivity: 52.5152 cm^3
• Polarizability: 20.302267 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 82°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%