6,7-Dihydro-4(5H)-benzofuranone - ≥97% , CAS No.16806-93-2

CAS: 16806-93-2 Cat. No.: D104210 Peso molecular: 136.15 Número EC: 959-960-2

GRADE & PURITY ≥97%

Synonyms

4(5H)-Benzofuranone, 6,7-dihydro- | AM20090009 | 4-oxo-4,5,6,7 -tetrahydrobenzofuran | 6,7-dihydro-1-benzofuran-4(5H)-one | DXWQOYPYNPSVRL-UHFFFAOYSA-N | AC-30248 | EN300-52893 | SY045643 | 4,5,6,7-tetrahydro-1-benzofuran-4-one | 6,7-dihydrobenzofuran-4(5

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

6,7-Dihydro-4(5H)-benzofuranone is a benzofuran derivative that consists of fused benzene and furan ring. Its standard molar enthalpy of formation by static bomb calorimetry and standard molar enthalpy of vaporization using Calvet microcalorimetry has been measured. These values have been used to derive the standard molar enthalpy of formation in gaseous phase.

Application：

6,7-Dihydro-4(5H)-benzofuranone may be used in the synthesis of furacridone ring skeleton.

Specifications

Sinónimos

4(5H)-Benzofuranone, 6, 7-dihydro- | AM20090009 | 4-oxo-4, 5, 6, 7 -tetrahydrobenzofuran | 6, 7-dihydro-1-benzofuran-4(5H)-one | DXWQOYPYNPSVRL-UHFFFAOYSA-N | AC-30248 | EN300-52893 | SY045643 | 4, 5, 6, 7-tetrahydro-1-benzofuran-4-one | 6, 7-dihydrobenzofuran-4(5

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192408
• Sonrisas canónicas: C1CC2=C(C=CO2)C(=O)C1
• IUPAC Name: 6,7-dihydro-5H-1-benzofuran-4-one
• InChIKey: DXWQOYPYNPSVRL-UHFFFAOYSA-N
• INCHI: 1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
• Isómeros SMILES: C1CC2=C(C=CO2)C(=O)C1
• WGK Alemania: 3
• Peso molecular: 136.15
• Reaxy-Rn: 386241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386241&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 alkyl ketones Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Aryl alkyl ketone - Aryl ketone - Heteroaromatic compound - Furan - Ketone - Oxacycle - 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 115-118°C/16mmHg
• Punto de fusión (°C): 30-34°C
• Peso molecular: 136.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 30.200 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