(2-fluorophenyl)(phenyl)methanone

• ChemBase ID: 7964
• Molecular Formular: C13H9FO
• Molecular Mass: 200.2083632
• Monoisotopic Mass: 200.06374313
• SMILES: c1ccc(c(c1)C(=O)c1ccccc1)F
• Canonical SMILES: Fc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C13H9FO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
• InChIKey: DWFDQVMFSLLMPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)(phenyl)methanone
• IUPAC Traditional name: (2-fluorophenyl)(phenyl)methanone
• Synonyms: 2-Fluorobenzophenone; (2-Fluorophenyl)(phenyl)methanone; 2-Fluorobenzophenone 98%; 2-Fluorobenzophenone; 2-氟二苯甲酮; 2-氟苯酮

Database IDs

• CAS Number: 342-24-5
• EC Number: 206-440-1
• MDL Number: MFCD00000318
• Beilstein Number: 2047045
• PubChem SID: 160971271
• PubChem CID: 67650

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5753007
• LogD (pH = 7.4): 3.5753007
• Log P: 3.5753007
• Molar Refractivity: 56.8499 cm^3
• Polarizability: 21.624111 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 149-150°C/16mm; 150°C/16mm; 190°C/29mm
• Flash Point: >110°C; >110°C(230°F)
• Density: 1.186
• Refractive Index: 1.5864

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 98%; 98+%
• Empirical Formula (Hill Notation): C13H9FO

DETAILS

MP Biomedicals - 05215207

MP Biomedicals Rare Chemical collection