furan-2,5-dicarbaldehyde

• ChemBase ID: 143366
• Molecular Formular: C6H4O3
• Molecular Mass: 124.09416
• Monoisotopic Mass: 124.01604399
• SMILES: c1cc(oc1C=O)C=O
• Canonical SMILES: O=Cc1ccc(o1)C=O
• InChI: InChI=1S/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H
• InChIKey: PXJJKVNIMAZHCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2,5-dicarbaldehyde
• IUPAC Traditional name: furan-2,5-dicarbaldehyde
• Synonyms: 2,5-Furandicarbaldehyde; 2,5-Diformylfuran; 5-Formylfurfural; 2,5-Furandicarboxaldehyde; Furan-2,5-dicarbaldehyde; 2,5-Furandicarboxaldehyde; DFF; 2,5-Diformylfuran

Database IDs

• CAS Number: 823-82-5
• MDL Number: MFCD00671517
• Beilstein Number: 109424
• PubChem SID: 162237586
• PubChem CID: 69980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3784983
• LogD (pH = 7.4): 0.3784983
• Log P: 0.3784983
• Molar Refractivity: 31.4944 cm^3
• Polarizability: 11.086642 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Yellow Solid
• Melting Point: 107-109°C

Safety Information

• Storage Condition: -20°C Freezer
• Storage Temperature: -20°C

Product Information

• Purity: ≥96.5% (HPLC); 95+%; 97%
• Empirical Formula (Hill Notation): C6H4O3