2,6-Dimethylisonicotinonitrile - ≥97% , CAS No.39965-81-6

CAS: 39965-81-6 Cat. No.: D170144 Fórmula: C₈H₈N₂ Peso molecular: 132.16 Número EC: 810-359-2

GRADE & PURITY ≥97%

Synonyms

2,6-Dimethyl-4-cyanopyridine | 2,6-dimethyl-4-cyano-pyridine | A824825 | CL0018 | 2,6-Dimethylisonicotinonitrile, AldrichCPR | FT-0646183 | AKOS006273602 | BB 0262956 | SCHEMBL1179216 | AC-23233 | DTXSID30494690 | 2,6-Dimethylisonicotinonitrile | 2,6-dime

Storage

Room temperature

Shipped In

Normal

Descripción general

Application

2,​6-​Dimethylisonicotinon​itrile is used in the synthetic preparation of 2-ethylthioisonicotinamide.

Specifications

Sinónimos

2,6-Dimethyl-4-cyanopyridine | 2,6-dimethyl-4-cyano-pyridine | A824825 | CL0018 | 2,6-Dimethylisonicotinonitrile, AldrichCPR | FT-0646183 | AKOS006273602 | BB 0262956 | SCHEMBL1179216 | AC-23233 | DTXSID30494690 | 2,6-Dimethylisonicotinonitrile | 2,6-dime

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198066
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198066
• Sonrisas canónicas: CC1=CC(=CC(=N1)C)C#N
• IUPAC Name: 2,6-dimethylpyridine-4-carbonitrile
• InChIKey: TXBLTSMCEXEFMI-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2/c1-6-3-8(5-9)4-7(2)10-6/h3-4H,1-2H3
• Isómeros SMILES: CC1=CC(=CC(=N1)C)C#N
• Peso molecular: 132.16
• Reaxy-Rn: 112977
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112977&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

• Peso molecular: 132.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.069 Da
• Monoisotopic Mass: 132.069 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 146.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 39965-81-6, the molecular formula is C8H8N2, and the molecular weight is 132.16 g/mol. InChIKey TXBLTSMCEXEFMI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.