(2,6-difluorophenyl)(phenyl)methanone

• ChemBase ID: 9087
• Molecular Formular: C13H8F2O
• Molecular Mass: 218.1988264
• Monoisotopic Mass: 218.05432132
• SMILES: O=C(c1c(cccc1F)F)c1ccccc1
• Canonical SMILES: Fc1cccc(c1C(=O)c1ccccc1)F
• InChI: InChI=1S/C13H8F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8H
• InChIKey: KTRGJHDNHIPMEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-difluorophenyl)(phenyl)methanone
• IUPAC Traditional name: (2,6-difluorophenyl)(phenyl)methanone
• Synonyms: 2,6-Difluorobenzophenone; (2,6-Difluorophenyl)(phenyl)methanone; 2,6-Difluorobenzophenone 98%; 2,6-Difluorobenzophenone; 2,6-二氟苯甲酮

Database IDs

• CAS Number: 59189-51-4
• EC Number: 261-650-0
• MDL Number: MFCD00009895
• Beilstein Number: 2266589
• PubChem SID: 160972394
• PubChem CID: 100979

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: 21.31193 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119-120°C/1.5mm; 120°C/2mm
• Flash Point: >110°C; >110°C(230°F)
• Density: 1.244
• Refractive Index: 1.5645

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%