2,3-difluoro-6-methoxybenzaldehyde

• ChemBase ID: 97176
• Molecular Formular: C8H6F2O2
• Molecular Mass: 172.1288464
• Monoisotopic Mass: 172.03358587
• SMILES: O=Cc1c(c(ccc1OC)F)F
• Canonical SMILES: O=Cc1c(OC)ccc(c1F)F
• InChI: InChI=1S/C8H6F2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3
• InChIKey: AKOJAYHBKACKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-6-methoxybenzaldehyde
• IUPAC Traditional name: 2,3-difluoro-6-methoxybenzaldehyde
• Synonyms: 2,3-Difluoro-6-methoxybenzaldehyde; 2,3-Difluoro-6-methoxybenzaldehyde; 3,4-Difluoro-2-formylanisole; 5,6-Difluoro-o-anisaldehyde; 2,3-Difluoro-6-methoxybenzaldehyde 98%; 2,3-二氟-6-甲氧基苯甲醛

Database IDs

• CAS Number: 187543-87-9
• EC Number: None
• MDL Number: MFCD02093968
• PubChem SID: 162083788
• PubChem CID: 2774112

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8134807
• LogD (pH = 7.4): 1.8134807
• Log P: 1.8134807
• Molar Refractivity: 39.538 cm^3
• Polarizability: 14.273231 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57-60°C; 57-62°C

Safety Information

• Storage Warning: Air Sensitive; Irritant/Air Sensitive/Store under Argon
• 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: 97%