ethyl 2,2-difluoro-2-phenylacetate

• ChemBase ID: 18910
• Molecular Formular: C10H10F2O2
• Molecular Mass: 200.1820064
• Monoisotopic Mass: 200.064886
• SMILES: C(=O)(C(c1ccccc1)(F)F)OCC
• Canonical SMILES: CCOC(=O)C(c1ccccc1)(F)F
• InChI: InChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
• InChIKey: KCMSDCHUELUJPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,2-difluoro-2-phenylacetate
• IUPAC Traditional name: ethyl 2,2-difluoro-2-phenylacetate
• Synonyms: alpha,alpha-Difluorophenylacetic acid ethyl ester; Ethyl alpha,alpha-difluorophenylacetate; α,α-Difluorophenylacetic acid ethyl ester; Difluoro(phenyl)acetic acid ethyl ester; Ethyl 2,2-difluoro-2-phenylethanoate; Ethyl difluoro(phenyl)acetate 98%; α,α-二氟苯乙酸乙酯

Database IDs

• CAS Number: 2248-46-6
• MDL Number: MFCD08275296
• PubChem SID: 160982217
• PubChem CID: 10631860

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8817046
• LogD (pH = 7.4): 2.8817046
• Log P: 2.8817046
• Molar Refractivity: 47.0021 cm^3
• Polarizability: 17.969004 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-72°C/1mm
• Refractive Index: 1.4600

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: 99%