6-bromo-2-trifluorometilquinolina - ≥95% , CAS No.176722-64-8

CAS: 176722-64-8 Cat. No.: B182159 Peso molecular: 276.05

GRADE & PURITY ≥95%

Synonyms

MFCD08166328 | J-518348 | DS-0506 | KSGBXTJLAABRJI-UHFFFAOYSA-N | A812206 | AKOS000320171 | DTXSID20571525 | AB43561 | QUINOLINE, 6-BROMO-2-(TRIFLUOROMETHYL)- | 6-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE | 6-Bromo-2-trifluoromethylquinoline | SCHEMBL2117037 | S

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

MFCD08166328 | J-518348 | DS-0506 | KSGBXTJLAABRJI-UHFFFAOYSA-N | A812206 | AKOS000320171 | DTXSID20571525 | AB43561 | QUINOLINE, 6-BROMO-2-(TRIFLUOROMETHYL)- | 6-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE | 6-Bromo-2-trifluoromethylquinoline | SCHEMBL2117037 | S

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=CC(=N2)C(F)(F)F)C=C1Br
• IUPAC Name: 6-bromo-2-(trifluoromethyl)quinoline
• InChIKey: KSGBXTJLAABRJI-UHFFFAOYSA-N
• INCHI: 1S/C10H5BrF3N/c11-7-2-3-8-6(5-7)1-4-9(15-8)10(12,13)14/h1-5H
• Isómeros SMILES: C1=CC2=C(C=CC(=N2)C(F)(F)F)C=C1Br
• Peso molecular: 276.05
• Reaxy-Rn: 7478861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7478861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen 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

• Peso molecular: 276.050 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 274.956 Da
• Monoisotopic Mass: 274.956 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 231.000
• 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