(2,3-difluorophenyl)(phenyl)methanone

• ChemBase ID: 9088
• Molecular Formular: C13H8F2O
• Molecular Mass: 218.1988264
• Monoisotopic Mass: 218.05432132
• SMILES: c1cc(c(c(c1)C(=O)c1ccccc1)F)F
• Canonical SMILES: O=C(c1cccc(c1F)F)c1ccccc1
• InChI: InChI=1S/C13H8F2O/c14-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8H
• InChIKey: BWQOPMJTQPWHOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-difluorophenyl)(phenyl)methanone
• IUPAC Traditional name: (2,3-difluorophenyl)(phenyl)methanone
• Synonyms: 2,3-Difluorobenzophenone; 2,3-Difluorobenzophenone 97%; 2,3-Difluorobenzophenone; 2,3-二氟苯并苯酮

Database IDs

• CAS Number: 208173-20-0
• MDL Number: MFCD00061139
• PubChem SID: 160972395
• PubChem CID: 570113

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: 21.308764 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 176-178°C/16mm; 176-178°C/16mm
• Refractive Index: 1.5685

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%