1-(5-chloro-3-methyl-pyrazin-2-yl)ethanone - ≥97% , CAS No.1393554-09-0

CAS: 1393554-09-0 Cat. No.: E637617 Molecular Weight: 170.6 PubChem CID: 72218581

GRADE & PURITY ≥97%

Synonyms

1-(5-CHLORO-3-METHYLPYRAZIN-2-YL)ETHANONE | 1393554-09-0 | AB85683 | F89568

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(5-CHLORO-3-METHYLPYRAZIN-2-YL)ETHANONE | 1393554-09-0 | AB85683 | F89568

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=NC(=CN=C1C(=O)C)Cl
• IUPAC Name: 1-(5-chloro-3-methylpyrazin-2-yl)ethanone
• InChIKey: DUCREGHKZAAQAH-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN2O/c1-4-7(5(2)11)9-3-6(8)10-4/h3H,1-2H3
• PubChem CID: 72218581
• Molecular Weight: 170.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyrazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyrazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: 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