6,7-Dichloroquinoxaline - ≥95% , CAS No.19853-64-6

CAS: 19853-64-6 Cat. No.: D182505 Peso molecular: 199.04

GRADE & PURITY ≥95%

Synonyms

A879974 | InChI=1/C8H4Cl2N2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h1-4 | Quinoxaline,6,7-dichloro- | MFCD00456885 | AKOS006229829 | 6,7-DICHLOROQUINOXALINE 98 | D94590 | SCHEMBL1258350 | BS-21922 | DTXSID30348649 | SY030693 | quinoxaline, 6,7-dichloro- | FT-062

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A879974 | InChI=1/C8H4Cl2N2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h1-4 | Quinoxaline, 6, 7-dichloro- | MFCD00456885 | AKOS006229829 | 6, 7-DICHLOROQUINOXALINE 98 | D94590 | SCHEMBL1258350 | BS-21922 | DTXSID30348649 | SY030693 | quinoxaline, 6, 7-dichloro- | FT-062

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488190886
• Sonrisas canónicas: C1=CN=C2C=C(C(=CC2=N1)Cl)Cl
• IUPAC Name: 6,7-dichloroquinoxaline
• InChIKey: YAVWRUWYXLAQRT-UHFFFAOYSA-N
• INCHI: 1S/C8H4Cl2N2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h1-4H
• Isómeros SMILES: C1=CN=C2C=C(C(=CC2=N1)Cl)Cl
• Peso molecular: 199.04
• Reaxy-Rn: 126079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Pyrazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

• Peso molecular: 199.030 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.975 Da
• Monoisotopic Mass: 197.975 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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