1,2-difluoro-3-methoxybenzene

• ChemBase ID: 9035
• Molecular Formular: C7H6F2O
• Molecular Mass: 144.1187464
• Monoisotopic Mass: 144.03867125
• SMILES: c1cc(c(c(c1)OC)F)F
• Canonical SMILES: COc1cccc(c1F)F
• InChI: InChI=1S/C7H6F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
• InChIKey: RDOGTTNFVLSBKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-difluoro-3-methoxybenzene
• IUPAC Traditional name: 1,2-difluoro-3-methoxybenzene
• Synonyms: 2,3-Difluoroanisole; 1,2-Difluoro-3-methoxybenzene; 2,3-Difluorophenyl methyl ether; 2,3-Difluoroanisole; 2,3-二氟苯甲醚

Database IDs

• CAS Number: 134364-69-5
• MDL Number: MFCD01631562
• PubChem SID: 160972342
• PubChem CID: 2769344

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1009784
• LogD (pH = 7.4): 2.1009784
• Log P: 2.1009784
• Molar Refractivity: 32.954 cm^3
• Polarizability: 12.302047 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-72°C/38 mm Hg
• Flash Point: 62°C; 62°C(144°F)
• Density: 1.24

Safety Information

• Storage Warning: Irritant; IRRITANT, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 97+%; 98%; 99%