2-Cloro-3-hidroxipiridina - ≥98% , CAS No.6636-78-8

CAS: 6636-78-8 Cat. No.: C110320 Fórmula: C₅H₄ClNO Peso molecular: 129.54 Beilstein Registry Number: 21(3/4)430 Número CE: 229-635-3

GRADE & PURITY ≥98%

Synonyms

AC-4666 | Pentylamine, N-methyl- | SCHEMBL188902 | PB21615 | 2-chloropyridin-3-ol;2-Chloro-3-pyridinol | BRN 0002216 | 3-Pyridinol, 2-chloro- [ | EINECS 229-635-3 | AI3-61989 | AM20061429 | 2-Chloro-3-pyridinol | AKOS000431571 | RSOPTYAZDFSMTN-UHFFFAOYSA-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-4666 | Pentylamine, N-methyl- | SCHEMBL188902 | PB21615 | 2-chloropyridin-3-ol;2-Chloro-3-pyridinol | BRN 0002216 | 3-Pyridinol, 2-chloro- [ | EINECS 229-635-3 | AI3-61989 | AM20061429 | 2-Chloro-3-pyridinol | AKOS000431571 | RSOPTYAZDFSMTN-UHFFFAOYSA-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488185933

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185933

Sorrisos canónicos

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

IUPAC Name

2-chloropyridin-3-ol

InChIKey

RSOPTYAZDFSMTN-UHFFFAOYSA-N

INCHI

1S/C5H4ClNO/c6-5-4(8)2-1-3-7-5/h1-3,8H

SMILES isoméricas

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

WGK Alemanha

3

RTECS

UU7707000

Peso molecular

129.54

Beilstein

21(3/4)430

Reaxy-Rn

2216

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216&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: 2-halopyridines
• Alternative Parents: Hydroxypyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Hydroxypyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 167°C
• Peso molecular: 129.539 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.998 Da
• Monoisotopic Mass: 128.998 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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

Perguntas frequentes

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 6636-78-8, the molecular formula is C5H4ClNO, and the molecular weight is 129.54 g/mol. InChIKey RSOPTYAZDFSMTN-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.