2-Chloro-6-methyl-3-pyridinecarbonitrile - ≥98% , CAS No.28900-10-9

CAS: 28900-10-9 Cat. No.: C123053 Peso molecular: 152.58 Beilstein Registry Number: 120414 Número EC: 628-229-7

GRADE & PURITY ≥98%

Synonyms

AS-17587 | DTXSID60334338 | TD8102 | N-(3,3-Dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide diphosphate | PB12067 | BB 0219228 | AC-24537 | 2-Chloro-6-methyl-3-pyridinecarbonitrile | MFCD00082767 | F3250-0678 | VU0607312-1 | Z431973722 | 2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-17587 | DTXSID60334338 | TD8102 | N-(3, 3-Dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide diphosphate | PB12067 | BB 0219228 | AC-24537 | 2-Chloro-6-methyl-3-pyridinecarbonitrile | MFCD00082767 | F3250-0678 | VU0607312-1 | Z431973722 | 2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759058
• Sonrisas canónicas: CC1=NC(=C(C=C1)C#N)Cl
• IUPAC Name: 2-chloro-6-methylpyridine-3-carbonitrile
• InChIKey: YSBNBAYNISAUIT-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
• Isómeros SMILES: CC1=NC(=C(C=C1)C#N)Cl
• WGK Alemania: 3
• Peso molecular: 152.58
• Beilstein: 120414
• Reaxy-Rn: 120414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass 3-pyridinecarbonitriles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: 3-pyridinecarbonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-pyridinecarbonitriles
• Alternative Parents: Methylpyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridinecarbonitrile - Methylpyridine - 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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 ebullición (°C): 140-145°C
• Punto de fusión (°C): 114-117°C
• Peso molecular: 152.580 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.014 Da
• Monoisotopic Mass: 152.014 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 160.000
• 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