5,6-Dichloropicolinonitrile - ≥98% , CAS No.185107-64-6

CAS: 185107-64-6 Cat. No.: D730054 Formula: C₆H₂Cl₂N₂ Peso molecolare: 173.00 Numero EC: 965-589-7

GRADE & PURITY ≥98%

Synonyms

5,6-Dichloropyridine-2-carbonitrile

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

5,6-Dichloropyridine-2-carbonitrile

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(N=C1C#N)Cl)Cl

IUPAC Name

5,6-dichloropyridine-2-carbonitrile

InChIKey

PDRSZXQBFCYYKZ-UHFFFAOYSA-N

INCHI

1S/C6H2Cl2N2/c7-5-2-1-4(3-9)10-6(5)8/h1-2H

Isomeri SMILES

C1=CC(=C(N=C1C#N)Cl)Cl

CAS alternativo

185107-64-6

Peso molecolare

173.00

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 173.000 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.96 Da
• Monoisotopic Mass: 171.96 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• 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