3-acetil-2-cloropiridina - ≥98% , CAS No.55676-21-6

CAS: 55676-21-6 Cat. No.: A138997 Formula: C_7H6ClNO Peso molecolare: 155.58 Numero EC: 695-379-8

GRADE & PURITY ≥98%

Synonyms

MFCD03840751 | EN300-72860 | 2-Chloro-3-acetylpyridine | 2-Chloro-3-acetyl-pyridine | PB32351 | 1-(2-Chloro-3-pyridinyl)-1-ethanone | SCHEMBL427326 | FT-0657826 | AM20061324 | WIWIOUAFBHZLNQ-UHFFFAOYSA-N | AC-22442 | DB-0602 | Q-102824 | ETHANONE, 1-(2-CH

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

MFCD03840751 | EN300-72860 | 2-Chloro-3-acetylpyridine | 2-Chloro-3-acetyl-pyridine | PB32351 | 1-(2-Chloro-3-pyridinyl)-1-ethanone | SCHEMBL427326 | FT-0657826 | AM20061324 | WIWIOUAFBHZLNQ-UHFFFAOYSA-N | AC-22442 | DB-0602 | Q-102824 | ETHANONE, 1-(2-CH

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488196955

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196955

Sorrisi canonici

CC(=O)C1=C(N=CC=C1)Cl

IUPAC Name

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

InChIKey

WIWIOUAFBHZLNQ-UHFFFAOYSA-N

INCHI

1S/C7H6ClNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3

Isomeri SMILES

CC(=O)C1=C(N=CC=C1)Cl

WGK Germania

3

Peso molecolare

155.58

Reaxy-Rn

1447482

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447482&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: 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Vinylogous halide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - 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

• Indice di rifrazione: 1.55
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 114 °C/15 mmHg
• Peso molecolare: 155.580 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.014 Da
• Monoisotopic Mass: 155.014 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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 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 55676-21-6, the molecular formula is C7H6ClNO, and the molecular weight is 155.58 g/mol. InChIKey WIWIOUAFBHZLNQ-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.