6-Chlorobenzofurane-3(2H)-one - ≥98% , CAS No.3260-78-4

CAS: 3260-78-4 Cat. No.: C192739 Formule: C₈H₅ClO₂ Poids moléculaire: 168.58

GRADE & PURITY ≥98%

Synonyms

6-Chloro-3-Benzofuranone | 6-Chlorobenzofuran-3-one

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

6-Chloro-3-Benzofuranone | 6-Chlorobenzofuran-3-one

Spécifications et pureté

≥98%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528762335

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762335

Sourires canoniques

C1C(=O)C2=C(O1)C=C(C=C2)Cl

IUPAC Name

6-chloro-1-benzofuran-3-one

InChIKey

QSYZLDHZMYWEKL-UHFFFAOYSA-N

INCHI

1S/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2

Isomères SMILES

C1C(=O)C2=C(O1)C=C(C=C2)Cl

Poids moléculaire

168.58

Reaxy-Rn

121001

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Coumarans Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl chlorides Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Ketone - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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

Propriétés chimiques et physiques

• Poids moléculaire: 168.570 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.998 Da
• Monoisotopic Mass: 167.998 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• 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