2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile - ≥99% , CAS No.16297-07-7

CAS: 16297-07-7 Cat. No.: T133242 Peso molecular: 176.07 Número EC: 624-949-0 PubChem CID: 2773942

GRADE & PURITY ≥99%

Synonyms

2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile, 99% | 2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile | 2,3,5,6-Tetrafluoro-4-pyridine-carbonitrile | EN300-175807 | 4-Pyridinecarbonitrile, 2,3,5,6-tetrafluoro- | AKOS015909503 | 2,3,5,6-Tetrafluoropyridine-4-carbon

Storage

Room temperature

Shipped In

Normal

Descripción general

2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile is a perfluorinated heteroaromatic compound. 2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile (tetrafluoro-4-cyanopyridine) reacts with 1,3-dicarbonyl systems to yield the corresponding [5,6]-ring fused furo derivatives. 2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile (4-cyanotetrafluoropyridine) reacts with amidines to yield [6,6]-fused pyrimidinopyridine system via nucleophilic substitution at the C-3 position of the pyridine ring followed by intramolecular cyclization onto the pendant cyano group.Reaction of 2,3,5,6-tetrafluoro-4-pyridinecarbonitrile (4-cyanotetrafluoropyridine) with sulfur centred nucleophiles has been reported
 

Specifications

Sinónimos

2, 3, 5, 6-Tetrafluoro-4-pyridinecarbonitrile, 99% | 2, 3, 5, 6-Tetrafluoro-4-pyridinecarbonitrile | 2, 3, 5, 6-Tetrafluoro-4-pyridine-carbonitrile | EN300-175807 | 4-Pyridinecarbonitrile, 2, 3, 5, 6-tetrafluoro- | AKOS015909503 | 2, 3, 5, 6-Tetrafluoropyridine-4-carbon

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C(#N)C1=C(C(=NC(=C1F)F)F)F
• IUPAC Name: 2,3,5,6-tetrafluoropyridine-4-carbonitrile
• InChIKey: JXISJBVJNUKKBK-UHFFFAOYSA-N
• INCHI: 1S/C6F4N2/c7-3-2(1-11)4(8)6(10)12-5(3)9
• Isómeros SMILES: C(#N)C1=C(C(=NC(=C1F)F)F)F
• WGK Alemania: 3
• PubChem CID: 2773942
• Peso molecular: 176.07

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: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl fluorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions 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

• Punto de fusión (°C): 66-68°C
• Peso molecular: 176.070 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 176 Da
• Monoisotopic Mass: 176 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 199.000
• 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