2,5-Diformylfuran - ≥98%(GC) , CAS No.823-82-5

CAS: 823-82-5 Cat. No.: D134445 Formula: C₆H₄O₃ Molecular Weight: 124.09 Beilstein Registry Number: 109424 EC Number: 212-520-7

GRADE & PURITY ≥98%(GC)

Synonyms

Q16736622 | SCHEMBL51391 | C20899 | furan-2,5-dicarboxaldehyde | NSC618088 | NSC-618088 | C6H4O3 | DTXSID60231676 | 2,5-Furandicarbaldehyde | 2,5-Furandicarboxaldehyde, radical ion(1-) (9CI) | AM20080614 | D2408 | Furan-2,5-dial | 2,5-Diformylfuran | F

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Q16736622 | SCHEMBL51391 | C20899 | furan-2,5-dicarboxaldehyde | NSC618088 | NSC-618088 | C6H4O3 | DTXSID60231676 | 2,5-Furandicarbaldehyde | 2,5-Furandicarboxaldehyde, radical ion(1-) (9CI) | AM20080614 | D2408 | Furan-2,5-dial | 2,5-Diformylfuran | F

Specifications & Purity

≥98%(GC)

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504754472

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754472

Canonical Smiles

C1=C(OC(=C1)C=O)C=O

IUPAC Name

furan-2,5-dicarbaldehyde

InChIKey

PXJJKVNIMAZHCB-UHFFFAOYSA-N

INCHI

1S/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H

Isomeric SMILES

C1=C(OC(=C1)C=O)C=O

WGK Germany

3

Molecular Weight

124.09

Beilstein

109424

Reaxy-Rn

109424

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• External Descriptors: furans - arenecarbaldehyde - dialdehyde

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Chloroform
• Sensitivity: Heat, Light and Air sensitive
• Melt Point(°C): 110 °C
• Molecular Weight: 124.090 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 124.016 Da
• Monoisotopic Mass: 124.016 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1