[3-(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone

• ChemBase ID: 145731
• Molecular Formular: C20H12F2O2
• Molecular Mass: 322.3048864
• Monoisotopic Mass: 322.08053606
• SMILES: c1cc(cc(c1)C(=O)c1ccc(cc1)F)C(=O)c1ccc(cc1)F
• Canonical SMILES: O=C(c1ccc(cc1)F)c1cccc(c1)C(=O)c1ccc(cc1)F
• InChI: InChI=1S/C20H12F2O2/c21-17-8-4-13(5-9-17)19(23)15-2-1-3-16(12-15)20(24)14-6-10-18(22)11-7-14/h1-12H
• InChIKey: PISLKPDKKIDMQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone
• IUPAC Traditional name: [3-(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone
• Synonyms: 1,3-Bis(4-fluorobenzoyl)benzene; 1,3-Phenylenebis((4-fluorophenyl)methanone); 1,3-双(4-氟苯甲酰)苯

Database IDs

• CAS Number: 108464-88-6
• MDL Number: MFCD00239360
• PubChem SID: 24867631; 162239934
• PubChem CID: 688263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.177356
• LogD (pH = 7.4): 5.177356
• Log P: 5.177356
• Molar Refractivity: 87.6418 cm^3
• Polarizability: 32.93273 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 181-183 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%
• Linear Formula: C6H4(COC6H4F)2

DETAILS

Sigma Aldrich - 440930

Application
Used in the synthesis of poly(arylether ketones).1
Packaging
25, 100 g in poly bottle