2-Acetyl-3-methylpyrazine - ≥98% , CAS No.23787-80-6

CAS: 23787-80-6 Cat. No.: A113965 Fórmula: C₇H₈N₂O Peso molecular: 136.15 Beilstein Registry Number: 24(5)2,238 Número EC: 245-889-8

GRADE & PURITY ≥98%

Synonyms

1-(3-Methyl-2-pyrazinyl)ethanone | Ethanone, 1-(3-methyl-2-pyrazinyl)- | Pyrazine, 2-acetyl-3-methyl | 2-ACETYL-3-METHYLPYRAZINE [FHFI] | acetyl-3-methylpyrazine, 2- | 2-ACETYL-3-METHYLPYRAZINE | 3-amino-5-methyl-1H-pyrazole-4-carboxylic acid;1-(3-Methylp

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

1-(3-Methyl-2-pyrazinyl)ethanone | Ethanone, 1-(3-methyl-2-pyrazinyl)- | Pyrazine, 2-acetyl-3-methyl | 2-ACETYL-3-METHYLPYRAZINE [FHFI] | acetyl-3-methylpyrazine, 2- | 2-ACETYL-3-METHYLPYRAZINE | 3-amino-5-methyl-1H-pyrazole-4-carboxylic acid;1-(3-Methylp

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488183183

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183183

Sonrisas canónicas

CC1=NC=CN=C1C(=O)C

IUPAC Name

1-(3-methylpyrazin-2-yl)ethanone

InChIKey

QUNOTZOHYZZWKQ-UHFFFAOYSA-N

INCHI

1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3

Isómeros SMILES

CC1=NC=CN=C1C(=O)C

WGK Alemania

3

Peso molecular

136.15

Beilstein

24(5)2,238

Reaxy-Rn

742438

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742438&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyrazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive
• Índice de refracción: 1.5206-1.5226
• Punto de inflamación (°F): 80℃
• Punto de inflamación (°C): 80℃
• Punto de ebullición (°C): 90°C
• Peso molecular: 136.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 23787-80-6, the molecular formula is C7H8N2O, and the molecular weight is 136.15 g/mol. InChIKey QUNOTZOHYZZWKQ-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.