ethyl 2-(2-fluorophenyl)acetate

• ChemBase ID: 99463
• Molecular Formular: C10H11FO2
• Molecular Mass: 182.1915432
• Monoisotopic Mass: 182.07430781
• SMILES: O=C(Cc1c(cccc1)F)OCC
• Canonical SMILES: CCOC(=O)Cc1ccccc1F
• InChI: InChI=1S/C10H11FO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
• InChIKey: OFWMNCYZASDVSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-fluorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(2-fluorophenyl)acetate
• Synonyms: 2-Fluorophenylacetic acid ethyl ester; Ethyl 2-fluorophenylacetate 99%; Ethyl 2-fluorophenylacetate; ethyl 2-(2-fluorophenyl)acetate; 2-氟苯基乙酸乙酯

Database IDs

• CAS Number: 584-74-7
• MDL Number: MFCD04039343
• PubChem SID: 162085728
• PubChem CID: 7578179

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.256398
• LogD (pH = 7.4): 2.256398
• Log P: 2.256398
• Molar Refractivity: 47.0997 cm^3
• Polarizability: 18.140928 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 235°C; 235°C
• Flash Point: 85°C; 85°C(185°F)
• Density: 1.101
• Refractive Index: 1.4810; 1.4820
• Hydrophobicity(logP): 2.492

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A

Product Information

• Purity: 95%; 98%; 99%