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

CAS: 4265-16-1 Cat. No.: B469207 Peso molecular: 146.15 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504753766
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753766
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C2C(=C1)C=C(O2)C=O
• Peso molecular: 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
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Peso molecular: 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