2-fluoro-4-methoxy-1-methylbenzene

• ChemBase ID: 100070
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: O(c1cc(c(cc1)C)F)C
• Canonical SMILES: COc1ccc(c(c1)F)C
• InChI: InChI=1S/C8H9FO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
• InChIKey: WQOHEWKWIJOAHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methoxy-1-methylbenzene
• IUPAC Traditional name: 2-fluoro-4-methoxy-1-methylbenzene
• Synonyms: 2-Fluoro-4-methoxytoluene; 3-Fluoro-4-methylanisole 99%; 2-Fluoro-4-methoxy-1-methylbenzene; 3-Fluoro-4-methylanisole; 3-氟-4-甲基苯甲醚, JRD

Database IDs

• CAS Number: 405-06-1
• MDL Number: MFCD00143163
• PubChem SID: 162086495
• PubChem CID: 2774571

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: 14.275417 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4909

Safety Information

• Storage Warning: Flammable
• 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: 95+%; 97%