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

CAS: 7169-34-8 Cat. No.: B119781 Peso molecular: 134.13 Beilstein Registry Number: 115296 Número EC: 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

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

La benzofurano-3(2H)-ona se condensa con aldehídos en presencia de acetato de morfolina para producir 2-(arilideno)benzofurano-3(ZH)-onas sustituidas. Se somete a condensación catalizada por ácido o base con un aldehído apropiado para producir auronas [2-bencilidenebenzofurano-3(2H)-onas].

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753132
• Sonrisas canónicas: 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
• Isómeros SMILES: C1C(=O)C2=CC=CC=C2O1
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Benzofurans

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

• Solubilidad: Slightly miscible with water.
• Sensibilidad: Air & Light sensitive
• Punto de fusión (°C): 101-103°C
• Peso molecular: 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