Benzofuran-3(2H)-one - ≥98% , CAS No.7169-34-8

CAS: 7169-34-8 Cat. No.: B119781 Molecular Weight: 134.13 Beilstein Registry Number: 115296 EC Number: 640-279-1

GRADE & PURITY ≥98%

Synonyms

1-benzofuran-3-one | DTXSID20221917 | 1-benzofuran-3 (2H)-one | UNII-KZ7LS8K9LP | PS-4359 | 2,3-DIHYDROBENZOFURAN-3-ONE | 2H-BENZOFURAN-3-ONE | C2825 | PB43343 | STR06709 | CCG-356035 | FT-0694917 | CCRIS 3596 | MFCD00051810 | NSC512726 | NSC-512726 | 2,3

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Benzofuran-3(2H)-one undergoes condensation with aldehydes in the presence of morpholine acetate to yield substituted 2-(arylidene)benzofuran-3(ZH)-ones. It undergoes acid- or base-catalyzed condensation with an appropriate aldehyde to yield aurones [2-benzylidenebenzofuran-3(2H)-ones].

Specifications

Synonyms

1-benzofuran-3-one | DTXSID20221917 | 1-benzofuran-3 (2H)-one | UNII-KZ7LS8K9LP | PS-4359 | 2, 3-DIHYDROBENZOFURAN-3-ONE | 2H-BENZOFURAN-3-ONE | C2825 | PB43343 | STR06709 | CCG-356035 | FT-0694917 | CCRIS 3596 | MFCD00051810 | NSC512726 | NSC-512726 | 2, 3

Specifications & Purity

≥98%

Storage

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%

Names and Identifiers

• Pubchem Sid: 504753132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753132
• Canonical Smiles: C1C(=O)C2=CC=CC=C2O1
• IUPAC Name: 1-benzofuran-3-one
• InChIKey: MGKPCLNUSDGXGT-UHFFFAOYSA-N
• INCHI: 1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
• Isomeric SMILES: C1C(=O)C2=CC=CC=C2O1
• WGK Germany: 3
• Molecular Weight: 134.13
• Beilstein: 115296
• Reaxy-Rn: 115296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115296&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: Coumarans Aryl alkyl ketones Alkyl aryl ethers Benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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

• Solubility: Slightly miscible with water.
• Sensitivity: Air & Light sensitive
• Melt Point(°C): 101-103°C
• Molecular Weight: 134.130 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.037 Da
• Monoisotopic Mass: 134.037 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 153.000
• 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