2-Acetyl-5-methylpyridine - ≥96% , CAS No.5308-63-4

CAS: 5308-63-4 Cat. No.: A185017 Fórmula: C₈H₉NO Peso molecular: 135.2

GRADE & PURITY ≥96%

Synonyms

EN300-306647 | BDBM50339126 | J-400233 | 1-(5-methyl-2-pyridyl)ethanone | 2-Acetyl-5-methylpyridine | 2-acetyl-5-methyl-pyridine | CHEBI:179147 | AB25779 | Methyl 5-methyl-2-pyridyl ketone, 8CI | SCHEMBL827893 | N-(2-(Diethylamino)ethyl)-5-((Z)-(5-fluoro-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

EN300-306647 | BDBM50339126 | J-400233 | 1-(5-methyl-2-pyridyl)ethanone | 2-Acetyl-5-methylpyridine | 2-acetyl-5-methyl-pyridine | CHEBI:179147 | AB25779 | Methyl 5-methyl-2-pyridyl ketone, 8CI | SCHEMBL827893 | N-(2-(Diethylamino)ethyl)-5-((Z)-(5-fluoro-

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504767325

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767325

Sorrisos canónicos

CC1=CN=C(C=C1)C(=O)C

IUPAC Name

1-(5-methylpyridin-2-yl)ethanone

InChIKey

SBFBKLLKNHMBOH-UHFFFAOYSA-N

INCHI

1S/C8H9NO/c1-6-3-4-8(7(2)10)9-5-6/h3-5H,1-2H3

SMILES isoméricas

CC1=CN=C(C=C1)C(=O)C

Peso molecular

135.2

Reaxy-Rn

1524480

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524480&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriedades químicas e físicas

• Sensibilidade: heat sensitive
• Peso molecular: 135.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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

Perguntas frequentes

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 5308-63-4, the molecular formula is C8H9NO, and the molecular weight is 135.2 g/mol. InChIKey SBFBKLLKNHMBOH-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.