(2-fluorophenyl)(4-fluorophenyl)methanone

• ChemBase ID: 9869
• Molecular Formular: C13H8F2O
• Molecular Mass: 218.1988264
• Monoisotopic Mass: 218.05432132
• SMILES: Fc1c(C(=O)c2ccc(cc2)F)cccc1
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ccccc1F
• InChI: InChI=1S/C13H8F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
• InChIKey: LKFIWRPOVFNPKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)(4-fluorophenyl)methanone
• IUPAC Traditional name: (2-fluorophenyl)(4-fluorophenyl)methanone
• Synonyms: (2-Fluorophenyl)(4-fluorophenyl)methanone; 2,4'-Difluorobenzophenone 97%; 2,4'-Difluorobenzophenone; 2,4'-Difluorobenzophenone; 2,4′-Difluorobenzophenone; (2-Fluorophenyl)(4-fluorophenyl)methanone; 2,4'-二氟苯甲酮; 2,4'-二氟二苯甲酮

Database IDs

• CAS Number: 342-25-6
• EC Number: 206-441-7
• MDL Number: MFCD00000319
• Beilstein Number: 3268520
• PubChem SID: 160973176
• PubChem CID: 67651

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: 21.31053 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 22-24 °C(lit.); 22-24°C; 22-24°C
• Boiling Point: 176-178 °C/16 mmHg(lit.); 176-178°C/16mm; 176-178°C/16mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.244; 1.244 g/mL at 25 °C(lit.)
• Refractive Index: 1.5689; n20/D 1.5689(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 96%; 97%
• Linear Formula: (FC6H4)2CO