6-Bromo-4-chloro-2-(trifluoromethyl)quinoline - ≥97% , CAS No.1701-28-6

CAS: 1701-28-6 Cat. No.: B345351 Peso molecular: 310.51 Número EC: 119-176-6

GRADE & PURITY ≥97%

Synonyms

FT-0620986 | AKOS009157930 | DTXSID30381076 | SCHEMBL5558246 | MFCD00153073 | 6-bromo-4-chloro-2-(trifluoromethyl)quinoline | 6-BROMO-4-CHLORO-2-(TRIFLUOROMETHYL)-QUINOLINE | A811171 | 2-(2-METHYL-1,3-THIAZOL-4-YL)BENZOICACID | AC-7391 | JKEQQFAWABXNFV-UH

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0620986 | AKOS009157930 | DTXSID30381076 | SCHEMBL5558246 | MFCD00153073 | 6-bromo-4-chloro-2-(trifluoromethyl)quinoline | 6-BROMO-4-CHLORO-2-(TRIFLUOROMETHYL)-QUINOLINE | A811171 | 2-(2-METHYL-1, 3-THIAZOL-4-YL)BENZOICACID | AC-7391 | JKEQQFAWABXNFV-UH

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504762021
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762021
• Sonrisas canónicas: C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)Cl
• IUPAC Name: 6-bromo-4-chloro-2-(trifluoromethyl)quinoline
• InChIKey: JKEQQFAWABXNFV-UHFFFAOYSA-N
• INCHI: 1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
• Isómeros SMILES: C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)Cl
• Peso molecular: 310.51
• Reaxy-Rn: 1347670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1347670&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: Chloroquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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 fusión (°C): 98-100°
• Peso molecular: 310.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 308.917 Da
• Monoisotopic Mass: 308.917 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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