2-Acetyl-4-methylpyridine - ≥98% , CAS No.59576-26-0

CAS: 59576-26-0 Cat. No.: A115766 Formula: C₈H₉NO Peso molecolare: 135.16 Beilstein Registry Number: 21(4)3571 Numero EC: 627-737-6

GRADE & PURITY ≥98%

Synonyms

2-Acetyl-4-methylpyridine | InChI=1/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H | SCHEMBL397492 | 1-(4-Methyl-2-pyridinyl)ethanone # | A1-00324 | 1-(4-methyl-2-pyridyl)-1-ethanone | 1-(4-METHYLPYRIDIN-2-YL)ETHAN-1-ONE | 1-(4-Methyl-2-pyridinyl)ethanone, 9CI

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

2-Acetyl-4-methylpyridine | InChI=1/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H | SCHEMBL397492 | 1-(4-Methyl-2-pyridinyl)ethanone # | A1-00324 | 1-(4-methyl-2-pyridyl)-1-ethanone | 1-(4-METHYLPYRIDIN-2-YL)ETHAN-1-ONE | 1-(4-Methyl-2-pyridinyl)ethanone, 9CI

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504759273

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759273

Sorrisi canonici

CC1=CC(=NC=C1)C(=O)C

IUPAC Name

1-(4-methylpyridin-2-yl)ethanone

InChIKey

HRVQMQWVGKYDCF-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC1=CC(=NC=C1)C(=O)C

WGK Germania

3

Peso molecolare

135.16

Beilstein

21(4)3571

Reaxy-Rn

109565

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109565&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air Sensitive,Heat Sensitive
• Punto di infiammabilità (°F): 203 °F
• Punto di infiammabilità (°C): 95 °C
• Punto di fusione (°C): 30-34°C
• Peso molecolare: 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

Domande frequenti

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 59576-26-0, the molecular formula is C8H9NO, and the molecular weight is 135.16 g/mol. InChIKey HRVQMQWVGKYDCF-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.