2-fluoro-1-methoxy-4-methylbenzene

• ChemBase ID: 296136
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: Cc1ccc(c(c1)F)OC
• Canonical SMILES: COc1ccc(cc1F)C
• InChI: InChI=1S/C8H9FO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
• InChIKey: FOVXANGOLMXKES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1-methoxy-4-methylbenzene
• IUPAC Traditional name: 2-fluoro-1-methoxy-4-methylbenzene
• Synonyms: 2-Fluoro-4-methylanisole; 2-氟-4-甲基苯甲醚

Database IDs

• CAS Number: 399-55-3
• EC Number: None
• MDL Number: MFCD00060270
• PubChem SID: 180681667
• PubChem CID: 136240

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4716978
• LogD (pH = 7.4): 2.4716978
• Log P: 2.4716978
• Molar Refractivity: 37.7788 cm^3
• Polarizability: 14.274429 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.495

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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%