8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline - ≥95% , CAS No.18706-22-4

CAS: 18706-22-4 Cat. No.: C344881 Peso molecular: 247.61 Número EC: 671-982-1

GRADE & PURITY ≥95%

Synonyms

8-Chloro-2-trifluoromethyl-quinolin-4-ol | DTXSID70371476 | 8-Chloro-2-(trifluoromethyl)quinolin-4-ol | MFCD00276589 | 8-chloro-2-(trifluoromethyl)-1H-quinolin-4-one | SCHEMBL2711485 | 8-Chloro-2-(trifluoromethyl)-4-quinolinol | A813107 | AS-65261 | FT-06

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

8-Chloro-2-trifluoromethyl-quinolin-4-ol | DTXSID70371476 | 8-Chloro-2-(trifluoromethyl)quinolin-4-ol | MFCD00276589 | 8-chloro-2-(trifluoromethyl)-1H-quinolin-4-one | SCHEMBL2711485 | 8-Chloro-2-(trifluoromethyl)-4-quinolinol | A813107 | AS-65261 | FT-06

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504761321
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761321
• Sonrisas canónicas: C1=CC2=C(C(=C1)Cl)NC(=CC2=O)C(F)(F)F
• IUPAC Name: 8-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
• InChIKey: SBVZSZNYPRWWNN-UHFFFAOYSA-N
• INCHI: 1S/C10H5ClF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
• Isómeros SMILES: C1=CC2=C(C(=C1)Cl)NC(=CC2=O)C(F)(F)F
• Peso molecular: 247.61
• Reaxy-Rn: 26640668
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26640668&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Chloroquinolines Hydroquinolines Pyridines and derivatives Aryl chlorides Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Chloroquinoline - Haloquinoline - Dihydroquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organopnictogen compound - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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): 138-140°
• Peso molecular: 247.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 247.001 Da
• Monoisotopic Mass: 247.001 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 339.000
• 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