Dibenzofuran-2-carboxaldehyde - ≥98% , CAS No.5397-82-0

CAS: 5397-82-0 Cat. No.: D155752 Molecular Weight: 196.21 EC Number: 673-500-5

GRADE & PURITY ≥98%

Synonyms

2-formyl dibenzofuran | NSC4270 | NSC-4270 | Z274378804 | A829874 | D4759 | EN300-705913 | SY050578 | BB 0259270 | BBL003431 | MFCD00136272 | Dibenzofuran-2-carboxaldehyde | dibenzo[b,d]furan-2-carbaldehyde | 2-Dibenzofurancarboxaldehyde | dibenzofuran-2-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-formyl dibenzofuran | NSC4270 | NSC-4270 | Z274378804 | A829874 | D4759 | EN300-705913 | SY050578 | BB 0259270 | BBL003431 | MFCD00136272 | Dibenzofuran-2-carboxaldehyde | dibenzo[b, d]furan-2-carbaldehyde | 2-Dibenzofurancarboxaldehyde | dibenzofuran-2-

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188670
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188670
• Canonical Smiles: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C=O
• IUPAC Name: dibenzofuran-2-carbaldehyde
• InChIKey: OVJMIWIVPWPZMN-UHFFFAOYSA-N
• INCHI: 1S/C13H8O2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-8H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C=O
• Molecular Weight: 196.21
• Reaxy-Rn: 141044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141044&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Aryl-aldehydes Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• External Descriptors: Not available

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

• Sensitivity: Air Sensitive
• Melt Point(°C): 74 °C
• Molecular Weight: 196.200 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.052 Da
• Monoisotopic Mass: 196.052 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 251.000
• 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