2-Acetyl-6-methylpyridine - ≥98% , CAS No.6940-57-4

CAS: 6940-57-4 Cat. No.: A194623 Summenformel: C₈H₉NO Molekulargewicht: 135.16 EG-Nummer: 806-088-4

GRADE & PURITY ≥98%

Synonyms

BCP06451 | 2-Acetyl-6-methylpyridine | 2-Acetyl-6-methyl-pyridine | 6-Acetyl-2-picoline | AKOS012863539 | FT-0647667 | J-503472 | NSC60153 | NSC-60153 | SCHEMBL247491 | EN300-176876 | 1-(6-METHYL-PYRIDIN-2-YL)-ETHANONE | 1-(6-methylpyridin-2-yl)ethanone |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

BCP06451 | 2-Acetyl-6-methylpyridine | 2-Acetyl-6-methyl-pyridine | 6-Acetyl-2-picoline | AKOS012863539 | FT-0647667 | J-503472 | NSC60153 | NSC-60153 | SCHEMBL247491 | EN300-176876 | 1-(6-METHYL-PYRIDIN-2-YL)-ETHANONE | 1-(6-methylpyridin-2-yl)ethanone |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504757173

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757173

Kanonisches Lächeln

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

IUPAC Name

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

InChIKey

FPQMUQPPAYCAME-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

Molekulargewicht

135.16

Reaxy-Rn

109564

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109564&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.51
• Flammpunkt (°C): 84 °C
• Siedepunkt (°C): 83 °C/11 mmHg
• Molekulargewicht: 135.160 g/mol
• XLogP3: 1.300
• 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

Häufig gestellte Fragen

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 6940-57-4, the molecular formula is C8H9NO, and the molecular weight is 135.16 g/mol. InChIKey FPQMUQPPAYCAME-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.