2,4-difluoro-1-methoxybenzene

• ChemBase ID: 9037
• Molecular Formular: C7H6F2O
• Molecular Mass: 144.1187464
• Monoisotopic Mass: 144.03867125
• SMILES: c1c(cc(c(c1)OC)F)F
• Canonical SMILES: COc1ccc(cc1F)F
• InChI: InChI=1S/C7H6F2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
• InChIKey: CRMJLJFDPNJIQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoro-1-methoxybenzene
• IUPAC Traditional name: 2,4-difluoro-1-methoxybenzene
• Synonyms: 2,4-Difluoro-1-methoxybenzene; 2,4-Difluoroanisole; 2,4-Difluoroanisole 98%; 2,4-Difluoroanisole; 2,4-二氟苯甲醚

Database IDs

• CAS Number: 452-10-8
• MDL Number: MFCD00010731
• Beilstein Number: 2518264
• PubChem SID: 160972344
• PubChem CID: 136293

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: 12.303845 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53°C/18mm; 53°C/18mm
• Flash Point: 51°C; 51°C(123°F)
• Density: 1.240; 1.246; 1.252
• Refractive Index: 1.4700; 1.472; 1.4720

Safety Information

• Storage Warning: Flammable; IRRITANT, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C7H6F2O