3-Chloro-2-hydroxypyridine - ≥98% , CAS No.13466-35-8

CAS: 13466-35-8 Cat. No.: C102609 Formula: C₅H₄ClNO Peso molecolare: 129.54 Beilstein Registry Number: 21(4)358 Numero EC: 678-365-6

GRADE & PURITY ≥98%

Synonyms

AKOS005145874 | DTXSID70342464 | 3-Chloro-2-pyridone | SCHEMBL610916 | CL0143 | Pyridine, 2-hydroxy-3-chloro- | 3-Chloro-2-hydroxypyridine | 2-Hydroxy-3-chloropyridine | PS-3672 | 3-Chloro-1H-pyridin-2-one | 3-Chloro-2-pyridinol | 3-Chloro-2-pyridinol # |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

AKOS005145874 | DTXSID70342464 | 3-Chloro-2-pyridone | SCHEMBL610916 | CL0143 | Pyridine, 2-hydroxy-3-chloro- | 3-Chloro-2-hydroxypyridine | 2-Hydroxy-3-chloropyridine | PS-3672 | 3-Chloro-1H-pyridin-2-one | 3-Chloro-2-pyridinol | 3-Chloro-2-pyridinol # |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504759357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759357
• Sorrisi canonici: C1=CNC(=O)C(=C1)Cl
• IUPAC Name: 3-chloro-1H-pyridin-2-one
• InChIKey: XTYNIPUFKBBALX-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
• Isomeri SMILES: C1=CNC(=O)C(=C1)Cl
• Peso molecolare: 129.54
• Beilstein: 21(4)358
• Reaxy-Rn: 1524181
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524181&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: 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: Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 180-182°C
• Peso molecolare: 129.539 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• 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