5-Chloro-2-methylnicotinonitrile - ≥98% , CAS No.1256819-16-5

CAS: 1256819-16-5 Cat. No.: C190330 Fórmula: C₇H₅ClN₂ Peso molecular: 152.58

GRADE & PURITY ≥98%

Synonyms

SCHEMBL10177952 | 5-Chloro-2-methylnicotinonitrile | 1256819-16-5 | AKOS016001960 | 5-Chloro-3-cyano-2-methylpyridine | A890006 | FS-3627 | DTXSID40737929 | FT-0697491 | MFCD18255242 | 3-Pyridinecarbonitrile, 5-chloro-2-methyl- | 5-chloro-2-methylpyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL10177952 | 5-Chloro-2-methylnicotinonitrile | 1256819-16-5 | AKOS016001960 | 5-Chloro-3-cyano-2-methylpyridine | A890006 | FS-3627 | DTXSID40737929 | FT-0697491 | MFCD18255242 | 3-Pyridinecarbonitrile, 5-chloro-2-methyl- | 5-chloro-2-methylpyridine

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=C(C=N1)Cl)C#N
• IUPAC Name: 5-chloro-2-methylpyridine-3-carbonitrile
• InChIKey: VBUXHVXTMHAYNT-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClN2/c1-5-6(3-9)2-7(8)4-10-5/h2,4H,1H3
• Isómeros SMILES: CC1=C(C=C(C=N1)Cl)C#N
• Peso molecular: 152.58
• Reaxy-Rn: 41310123
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41310123&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 Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridinecarbonitrile - Methylpyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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

• Peso molecular: 152.580 g/mol
• XLogP3: 1.600
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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 1256819-16-5, the molecular formula is C7H5ClN2, and the molecular weight is 152.58 g/mol. InChIKey VBUXHVXTMHAYNT-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.