2,6-Diacetylpyridine - ≥99% , CAS No.1129-30-2

CAS: 1129-30-2 Cat. No.: D119137 Formula: C₉H₉NO₂ Peso molecolare: 163.18 Beilstein Registry Number: 118286 Numero EC: 214-442-9

GRADE & PURITY ≥99%

Synonyms

AKOS003595902 | D58390 | BEZVGIHGZPLGBL-UHFFFAOYSA- | 2,6-Diacetylpyridine, 99% | AC-6429 | AB01332223-02 | Pentanedioic acid, 3-hydroxy-3-methyl- | Pyridine-2,6-diacetyl | TS-03571 | STK087382 | 2,6diacetylpyridine | 2,6-Diacetylpyridine | EN300-6736941

Storage

Room temperature

Shipped In

Normal

Panoramica

Application

2,6-Diacetylpyridine can be used as a starting material for the synthesis of:

Iron and cobalt bis(imino)pyridyl complexes, catalysts for ethylene oligomerization.

Thiosemicarbazone derivatives with potential application as anti-mycobacterial tuberculosis agent.

Macrocyclic pentadentate nitrogen–sulphur donor ligands by [1+1] condensation with 1,2-di(o-aminophenylthio)ethane.

Specifications

Sinonimi

AKOS003595902 | D58390 | BEZVGIHGZPLGBL-UHFFFAOYSA- | 2,6-Diacetylpyridine, 99% | AC-6429 | AB01332223-02 | Pentanedioic acid, 3-hydroxy-3-methyl- | Pyridine-2,6-diacetyl | TS-03571 | STK087382 | 2,6diacetylpyridine | 2,6-Diacetylpyridine | EN300-6736941

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488184596

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184596

Sorrisi canonici

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

IUPAC Name

1-(6-acetylpyridin-2-yl)ethanone

InChIKey

BEZVGIHGZPLGBL-UHFFFAOYSA-N

INCHI

1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

163.18

Beilstein

118286

Reaxy-Rn

118286

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118286&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: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - 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 water, chloroform, and DMSO.
• Punto di ebollizione (°C): 126 °C/6 mmHg
• Punto di fusione (°C): 80-83°C
• Peso molecolare: 163.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 47.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• 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 ≥99% 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 1129-30-2, the molecular formula is C9H9NO2, and the molecular weight is 163.18 g/mol. InChIKey BEZVGIHGZPLGBL-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.