2-Chloro-4-hydroxypyridine - ≥97% , CAS No.17368-12-6

CAS: 17368-12-6 Cat. No.: C153940 Fórmula: C₅H₄ClNO Peso molecular: 129.54 Número EC: 241-399-3

GRADE & PURITY ≥97%

Synonyms

J-508778 | SB16051 | 2-Chloro-4-hydroxypyridine | 2-chloro-1H-pyridin-4-one | HY-I0304 | AB09576 | FT-0660623 | 4(1H)-Pyridinone, 2-chloro- | AM20050879 | J-512337 | 2-chloro-4-hydroxy-pyridine | 3-(Methylthio)-1,2,4-triazole | DTXSID00938117 | VBEHFOMFHU

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-508778 | SB16051 | 2-Chloro-4-hydroxypyridine | 2-chloro-1H-pyridin-4-one | HY-I0304 | AB09576 | FT-0660623 | 4(1H)-Pyridinone, 2-chloro- | AM20050879 | J-512337 | 2-chloro-4-hydroxy-pyridine | 3-(Methylthio)-1,2,4-triazole | DTXSID00938117 | VBEHFOMFHU

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488186386

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186386

Sonrisas canónicas

C1=CNC(=CC1=O)Cl

IUPAC Name

2-chloro-1H-pyridin-4-one

InChIKey

VBEHFOMFHUQAOW-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

C1=CNC(=CC1=O)Cl

Peso molecular

129.54

Reaxy-Rn

1524093

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524093&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Dihydropyridines Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - 2-halopyridine - Aryl chloride - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Cyclic ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 168.0 to 173.0 °C
• Peso molecular: 129.539 g/mol
• XLogP3: 1.000
• 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: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 171.000
• 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