(2-fluorophenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 93734
• Molecular Formular: C14H11FO2
• Molecular Mass: 230.2343432
• Monoisotopic Mass: 230.07430781
• SMILES: O(c1ccc(cc1)C(=O)c1ccccc1F)C
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccccc1F
• InChI: InChI=1S/C14H11FO2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
• InChIKey: POAARNGQBDUHLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (2-fluorophenyl)(4-methoxyphenyl)methanone
• Synonyms: 2-Fluoro-4'-methoxybenzophenone; 2-Fluoro-4'-methoxybenzophenone; 2-氟-4'-甲氧基二苯酮

Database IDs

• CAS Number: 66938-29-2
• EC Number: 000-000-0
• MDL Number: MFCD00749331
• Beilstein Number: 2107951
• PubChem SID: 162080400
• PubChem CID: 2783236

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4176295
• LogD (pH = 7.4): 3.4176295
• Log P: 3.4176295
• Molar Refractivity: 63.3131 cm^3
• Polarizability: 24.145283 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55-57°C; 55-57°C
• Boiling Point: 155-160°C/5mm; 155-160°C/5mm

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 99%