2-Fluoro-4-(trifluoromethyl)pyridine - ≥97% , CAS No.118078-66-3

CAS: 118078-66-3 Cat. No.: F123960 Peso molecular: 165.09 Número EC: 687-071-7

GRADE & PURITY ≥97%

Synonyms

SCHEMBL607015 | DTXSID20457178 | 2-Fluoro-4-(trifluoromethyl)pyridine, >=94% | MFCD09879262 | P15994 | FT-0678225 | SY017875 | STL557628 | BBL103818 | A803877 | AB54463 | F0995 | 2-fluoro-4-(trifluoromethyl)pyridine | 2-fluoro-4-(trifluoromethyl)-pyridine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Reactant for: Preparation of aminopyridines via amination reactions Catalytic ligand for: Regioselective preparation of tetramethylbiphenyls via aerobic oxidative coupling of xylene catalyzed by palladium

Specifications

Sinónimos

SCHEMBL607015 | DTXSID20457178 | 2-Fluoro-4-(trifluoromethyl)pyridine, >=94% | MFCD09879262 | P15994 | FT-0678225 | SY017875 | STL557628 | BBL103818 | A803877 | AB54463 | F0995 | 2-fluoro-4-(trifluoromethyl)pyridine | 2-fluoro-4-(trifluoromethyl)-pyridine

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 504766091
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766091
• Sonrisas canónicas: C1=CN=C(C=C1C(F)(F)F)F
• IUPAC Name: 2-fluoro-4-(trifluoromethyl)pyridine
• InChIKey: DFNQBXZKPUBEIX-UHFFFAOYSA-N
• INCHI: 1S/C6H3F4N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
• Isómeros SMILES: C1=CN=C(C=C1C(F)(F)F)F
• WGK Alemania: 3
• Peso molecular: 165.09
• Reaxy-Rn: 9758497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9758497&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a 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

• Solubilidad: Miscible with water, alcohol, acetonitrile and N,N-dimethylformamide
• Índice de refracción: 1.4
• Punto de inflamación (°F): 73.4 °F
• Punto de inflamación (°C): 23 °C
• Punto de ebullición (°C): 110°C
• Peso molecular: 165.090 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 165.02 Da
• Monoisotopic Mass: 165.02 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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