(4-fluorophenyl)(phenyl)methanone

• ChemBase ID: 7963
• Molecular Formular: C13H9FO
• Molecular Mass: 200.2083632
• Monoisotopic Mass: 200.06374313
• SMILES: c1c(ccc(c1)C(=O)c1ccccc1)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
• InChIKey: OGTSHGYHILFRHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(phenyl)methanone
• IUPAC Traditional name: (4-fluorophenyl)(phenyl)methanone
• Synonyms: 4-Fluorobenzophenone; (4-Fluorophenyl)(phenyl)methanone; 4-Fluorobenzophenone 98%; 4-Fluorobenzophenone; (4-fluorophenyl)(phenyl)methanone; 4-氟苯甲酮; 4-氟二苯甲酮

Database IDs

• CAS Number: 345-83-5
• EC Number: 206-463-7
• MDL Number: MFCD00000352
• Beilstein Number: 1869800
• PubChem SID: 24894932; 160971270
• PubChem CID: 67663

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: 21.622406 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-47°C; 45-49°C; 47 - 49°C; 47-49 °C(lit.); 47-49°C
• Boiling Point: 130-132°C/3mm; 130-132°C/3mm
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Hydrophobicity(logP): 3.399

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%
• Linear Formula: FC6H4COC6H5

DETAILS

Sigma Aldrich - F7202

Packaging
10, 100 g in glass bottle