1-ethoxy-2-fluorobenzene

• ChemBase ID: 8311
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: c1ccc(c(c1)OCC)F
• Canonical SMILES: CCOc1ccccc1F
• InChI: InChI=1S/C8H9FO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
• InChIKey: SQSJADMOVKSAQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2-fluorobenzene
• IUPAC Traditional name: benzene, 1-ethoxy-2-fluoro-
• Synonyms: 2-Fluorophenetole; 2-Ethoxyfluorobenzene; 2-Fluorophenetole 98%

Database IDs

• CAS Number: 451-80-9
• MDL Number: MFCD00017909
• PubChem SID: 160971618
• PubChem CID: 136291

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3150845
• LogD (pH = 7.4): 2.3150845
• Log P: 2.3150845
• Molar Refractivity: 37.4862 cm^3
• Polarizability: 14.349312 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -16.7°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%