2-Acetylisonicotinonitrile - ≥96% , CAS No.37398-49-5

CAS: 37398-49-5 Cat. No.: A193050 Summenformel: C₈H₆N₂O Molekulargewicht: 146.15 EG-Nummer: 853-419-3

GRADE & PURITY ≥96%

Synonyms

Z1198171805 | SY108645 | A874121 | AKOS006285304 | 2-Acetylisonicotinonitrile | 2-ACETYL-ISONICOTINONITRILE | WISLYNBDMYWHNF-UHFFFAOYSA-N | J-400230 | 2-Acetyl-4-cyanopyridine | 3-AMINO-3-ANTHRACEN-9-YL-PROPIONICACID | DTXSID30440258 | 2-ACETYL-4-PYRIDINE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Z1198171805 | SY108645 | A874121 | AKOS006285304 | 2-Acetylisonicotinonitrile | 2-ACETYL-ISONICOTINONITRILE | WISLYNBDMYWHNF-UHFFFAOYSA-N | J-400230 | 2-Acetyl-4-cyanopyridine | 3-AMINO-3-ANTHRACEN-9-YL-PROPIONICACID | DTXSID30440258 | 2-ACETYL-4-PYRIDINE

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Kanonisches Lächeln: CC(=O)C1=NC=CC(=C1)C#N
• IUPAC Name: 2-acetylpyridine-4-carbonitrile
• InChIKey: WISLYNBDMYWHNF-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2O/c1-6(11)8-4-7(5-9)2-3-10-8/h2-4H,1H3
• Isomere SMILES: CC(=O)C1=NC=CC(=C1)C#N
• Molekulargewicht: 146.15
• Reaxy-Rn: 386658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 146.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.048 Da
• Monoisotopic Mass: 146.048 Da
• Topological Polar Surface Area: 53.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 203.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% 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 37398-49-5, the molecular formula is C8H6N2O, and the molecular weight is 146.15 g/mol. InChIKey WISLYNBDMYWHNF-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.