3,5-Dichloro-2-pyridone - ≥98%(GC) , CAS No.5437-33-2

CAS: 5437-33-2 Cat. No.: D154409 Formula: C₅H₃Cl₂NO Peso molecolare: 163.99 Beilstein Registry Number: 21(3/4)361 Numero EC: 226-609-3

GRADE & PURITY ≥98%(GC)

Synonyms

D3312 | SMR000528164 | AB03534 | NSC16021 | NSC-16021 | AC-907/25000253 | 3,5-dichloropyridin-2(1H)-one | 2-Pyridinol, 3,5-dichloro- | 3,5-Dichloro-2-hydroxypyridine, 97% | CCG-49253 | Maybridge1_000056 | 2(1H)-Pyridinone, 3,5-dichloro- | 2-Hydroxy-3,5-di

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

D3312 | SMR000528164 | AB03534 | NSC16021 | NSC-16021 | AC-907/25000253 | 3,5-dichloropyridin-2(1H)-one | 2-Pyridinol, 3,5-dichloro- | 3,5-Dichloro-2-hydroxypyridine, 97% | CCG-49253 | Maybridge1_000056 | 2(1H)-Pyridinone, 3,5-dichloro- | 2-Hydroxy-3,5-di

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488185739

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185739

Sorrisi canonici

C1=C(C(=O)NC=C1Cl)Cl

IUPAC Name

3,5-dichloro-1H-pyridin-2-one

InChIKey

ZICOPWJJZSJEDL-UHFFFAOYSA-N

INCHI

1S/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)

Isomeri SMILES

C1=C(C(=O)NC=C1Cl)Cl

WGK Germania

3

RTECS

UV1146300

Peso molecolare

163.99

Beilstein

21(3/4)361

Reaxy-Rn

1524971

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524971&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Pyridinones Dihydropyridines Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 180 °C
• Peso molecolare: 163.990 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.959 Da
• Monoisotopic Mass: 162.959 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 207.000
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 5437-33-2, the molecular formula is C5H3Cl2NO, and the molecular weight is 163.99 g/mol. InChIKey ZICOPWJJZSJEDL-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.