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

CAS: 4265-16-1 Cat. No.: B469207 Summenformel: C₉H₆O₂ Molekulargewicht: 146.15 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504753766

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753766

Kanonisches Lächeln

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

Isomere SMILES

C1=CC=C2C(=C1)C=C(O2)C=O

Molekulargewicht

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
    • Klasse Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Molekulargewicht: 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