1,2,3-trifluoro-4-methoxybenzene

• ChemBase ID: 8137
• Molecular Formular: C7H5F3O
• Molecular Mass: 162.1092096
• Monoisotopic Mass: 162.02924944
• SMILES: Fc1ccc(c(c1F)F)OC
• Canonical SMILES: COc1ccc(c(c1F)F)F
• InChI: InChI=1S/C7H5F3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
• InChIKey: LIVNSQZJDRPZKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-trifluoro-4-methoxybenzene
• IUPAC Traditional name: 1,2,3-trifluoro-4-methoxybenzene
• Synonyms: 2,3,4-Trifluoroanisole; 1-Methoxy-2,3,4-trifluorobenzene; 2,3,4-Trifluoroanisole; 2,3,4-三氟苯甲醚

Database IDs

• CAS Number: 203245-16-3
• MDL Number: MFCD00042396
• PubChem SID: 160971444
• PubChem CID: 2776942

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2436805
• LogD (pH = 7.4): 2.2436805
• Log P: 2.2436805
• Molar Refractivity: 33.1704 cm^3
• Polarizability: 12.178554 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 61°C(142°F)

Safety Information

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

Product Information

• Purity: 97%; 97+%