2-Chloro-6-(trifluoromethyl)quinoxaline - ≥98% , CAS No.41213-32-5

CAS: 41213-32-5 Cat. No.: C193316 Peso molecular: 232.59 Número EC: 810-229-5

GRADE & PURITY ≥98%

Synonyms

2-chloro-6-(trifluoromethyl)quinoxaline|41213-32-5|2-chloro-6-trifluoromethylquinoxaline|Quinoxaline, 2-chloro-6-(trifluoromethyl)-|SCHEMBL3656007|DTXSID80393523|MFCD05669533|2-chloro-6-trifluoromethyl-quinoxaline|AKOS015994186|MS-1337|2-chloro-6-(trifluo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-chloro-6-(trifluoromethyl)quinoxaline | 41213-32-5 | 2-chloro-6-trifluoromethylquinoxaline | Quinoxaline, 2-chloro-6-(trifluoromethyl)- | SCHEMBL3656007 | DTXSID80393523 | MFCD05669533 | 2-chloro-6-trifluoromethyl-quinoxaline | AKOS015994186 | MS-1337 | 2-chloro-6-(trifluo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=NC(=CN=C2C=C1C(F)(F)F)Cl
• IUPAC Name: 2-chloro-6-(trifluoromethyl)quinoxaline
• InChIKey: PKOWPBJJCLWQMY-UHFFFAOYSA-N
• INCHI: 1S/C9H4ClF3N2/c10-8-4-14-7-3-5(9(11,12)13)1-2-6(7)15-8/h1-4H
• Isómeros SMILES: C1=CC2=NC(=CN=C2C=C1C(F)(F)F)Cl
• Peso molecular: 232.59
• Reaxy-Rn: 959001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=959001&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 Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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: 232.590 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 232.002 Da
• Monoisotopic Mass: 232.002 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234.000
• 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