4-fluorophenyl acetate

• ChemBase ID: 93505
• Molecular Formular: C8H7FO2
• Molecular Mass: 154.1383832
• Monoisotopic Mass: 154.04300768
• SMILES: Fc1ccc(cc1)OC(=O)C
• Canonical SMILES: CC(=O)Oc1ccc(cc1)F
• InChI: InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
• InChIKey: ZNOREXRHKZXVPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorophenyl acetate
• IUPAC Traditional name: 4-fluorophenyl acetate
• Synonyms: 1-Acetoxy-4-fluorobenzene; 4-Fluorophenyl acetate 98%; 4-Fluorophenyl acetate; 4-Fluorophenyl acetate; 4-氟苯基醋酸酯

Database IDs

• CAS Number: 405-51-6
• MDL Number: MFCD00041361
• Beilstein Number: 1864956
• PubChem SID: 162080190
• PubChem CID: 136253

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7232088
• LogD (pH = 7.4): 1.7232088
• Log P: 1.7232088
• Molar Refractivity: 37.4068 cm^3
• Polarizability: 14.469392 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 197-199°C; 210°C
• Flash Point: 87°C; 87°C(188°F)
• Density: 1.178; 1.180
• Refractive Index: 1.48; 1.4800

Safety Information

• Storage Warning: Harmful
• TSCA Listed: 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A

Product Information

• Purity: 97%