3,5-Difluoroisonicotinonitrile - ≥98% , CAS No.1214377-09-9

CAS: 1214377-09-9 Cat. No.: D190144 Peso molecular: 140.09 Número EC: 964-891-6

GRADE & PURITY ≥98%

Synonyms

4-CYANO-3,5-DIFLUOROPYRIDINE | 1214377-09-9 | J-004498 | 3,5-Difluoro-4-pyridinecarbonitrile | SY102241 | AKOS006335892 | SB52502 | DS-13264 | 4-Cyano-3,5-difluorpyridine | DTXSID70696414 | 3,5-difluoropyridine-4-carbonitrile | 4-Pyridinecarbonitrile, 3,5

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-CYANO-3, 5-DIFLUOROPYRIDINE | 1214377-09-9 | J-004498 | 3, 5-Difluoro-4-pyridinecarbonitrile | SY102241 | AKOS006335892 | SB52502 | DS-13264 | 4-Cyano-3, 5-difluorpyridine | DTXSID70696414 | 3, 5-difluoropyridine-4-carbonitrile | 4-Pyridinecarbonitrile, 3, 5

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504771225
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771225
• Sonrisas canónicas: C1=C(C(=C(C=N1)F)C#N)F
• IUPAC Name: 3,5-difluoropyridine-4-carbonitrile
• InChIKey: QZUIHNOMVCGTEY-UHFFFAOYSA-N
• INCHI: 1S/C6H2F2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
• Isómeros SMILES: C1=C(C(=C(C=N1)F)C#N)F
• Número ONU: 3439
• Grupo de embalaje: III
• Peso molecular: 140.09
• Reaxy-Rn: 30428673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30428673&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: Polyhalopyridines
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Cyanide - 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

• Peso molecular: 140.090 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 140.019 Da
• Monoisotopic Mass: 140.019 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 152.000
• 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