bis(4-fluorophenyl)methanone

• ChemBase ID: 9867
• Molecular Formular: C13H8F2O
• Molecular Mass: 218.1988264
• Monoisotopic Mass: 218.05432132
• SMILES: Fc1ccc(cc1)C(=O)c1ccc(cc1)F
• Canonical SMILES: O=C(c1ccc(cc1)F)c1ccc(cc1)F
• InChI: InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
• InChIKey: LSQARZALBDFYQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-fluorophenyl)methanone
• IUPAC Traditional name: 4,4'-difluorobenzophenone
• Synonyms: 4,4'-Difluorobenzophenone; 4,4′-Difluorobenzophenone; Bis(4-fluorophenyl)methanone; 4,4'-Difluorobenzophenone 97%; 4,4'-Difluorobenzophenone; bis(4-fluorophenyl)methanone; 4,4'-二氟苯酮; 4,4'-二氟二苯甲酮

Database IDs

• CAS Number: 345-92-6
• EC Number: 206-466-3
• MDL Number: MFCD00000353
• Beilstein Number: 516231
• PubChem SID: 24847220; 160973174; 24862801
• PubChem CID: 9582
• Chemspider ID: 9206
• Wikipedia Title: 4,4'-Difluorobenzophenone

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7180028
• LogD (pH = 7.4): 3.7180028
• Log P: 3.7180028
• Molar Refractivity: 57.0663 cm^3
• Polarizability: 21.3089 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless Solid
• Melting Point: 102 - 105°C; 102°C; 102-105 °C(lit.); 102-105°C; 102-110°C; 106-109 °C; 106-110°C; 107.5–108.5 °C
• Boiling Point: 170-172°C/10mm; 170-172°C/10mm
• Flash Point: >100°C
• Density: 1.39
• Hydrophobicity(logP): 3.568

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: DJ0685000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-37; 26-37/39; S:20-25-26-37/39
• 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: ≥99.0% (GC); 95%; 98%; 98+%; 99%
• Grade: purum
• Linear Formula: (FC6H4)2CO

DETAILS

MP Biomedicals - 05222946

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC2696

Intermediate for the manufacture of polyetheretherketone(PEEK) high performance polymer. Ask for reference.

Sigma Aldrich - 115495

Packaging
25, 100 g in poly bottle