2-Benzofurancarboxaldehyde - ≥97% , CAS No.4265-16-1

CAS: 4265-16-1 Cat. No.: B469207 Molecular Weight: 146.15 EC Number: 224-248-6

GRADE & PURITY ≥97%

Synonyms

AS-5561 | DTXCID2027121 | A6939 | J-640044 | InChI=1/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6 | 2-Formylbenzofuran | benzofuran-2 carbaldehyde | MFCD00015463 | FEMA 3128 | CHEBI:193658 | nchem.328-comp4c | 2-Benzofurancarboxaldehyde, 97% | BB 0260605 | DG

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2-Benzofurancarboxaldehyde, also known as benzo[b]-2-furfural, is an α,β-unsaturated aldehyde.

Description

2-Benzofurancarboxaldehyde, also known as benzo[b]-2-furfural, is an α,β-unsaturated aldehyde.2-Benzofurancarboxaldehyde may be used in the preparation of (E)-3-(benzofuran-2′-ylmethylidene)-1-methyl-2-indolinone and 1-(benzofuran-2-yl)methanol.

Application

2-Benzofurancarboxaldehyde may be used in the preparation of (E)-3-(benzofuran-2′-ylmethylidene)-1-methyl-2-indolinone and 1-(benzofuran-2-yl)methanol.

Specifications

Synonyms

AS-5561 | DTXCID2027121 | A6939 | J-640044 | InChI=1/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6 | 2-Formylbenzofuran | benzofuran-2 carbaldehyde | MFCD00015463 | FEMA 3128 | CHEBI:193658 | nchem.328-comp4c | 2-Benzofurancarboxaldehyde, 97% | BB 0260605 | DG

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504753766
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753766
• Canonical Smiles: C1=CC=C2C(=C1)C=C(O2)C=O
• IUPAC Name: 1-benzofuran-2-carbaldehyde
• InChIKey: ADDZHRRCUWNSCS-UHFFFAOYSA-N
• INCHI: 1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
• Isomeric SMILES: C1=CC=C2C(=C1)C=C(O2)C=O
• Molecular Weight: 146.15
• Reaxy-Rn: 2910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Aryl-aldehydes Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - 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 benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Molecular Weight: 146.140 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.037 Da
• Monoisotopic Mass: 146.037 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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