5-Chloro-3-hydroxypyridine - ≥99% , CAS No.74115-12-1

CAS: 74115-12-1 Cat. No.: C102606 Peso molecular: 129.54 Número EC: 277-727-7

GRADE & PURITY ≥99%

Synonyms

5-Chloro-3-pyridinol | 5chloro-3-pyridinol | FG-0438 | 3-Pyridinol, 5-chloro- | 5-Chloro-3-hydroxypyridine | NCGC00095107-04 | 5-chloranylpyridin-3-ol | Glipizide,(S) | A828003 | CHEBI:194653 | DTXSID90225063 | WIGIZIANZCJQQY-UHFFFAOYSA-N | BBL101637 | EN

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-Chloro-3-pyridinol | 5chloro-3-pyridinol | FG-0438 | 3-Pyridinol, 5-chloro- | 5-Chloro-3-hydroxypyridine | NCGC00095107-04 | 5-chloranylpyridin-3-ol | Glipizide, (S) | A828003 | CHEBI:194653 | DTXSID90225063 | WIGIZIANZCJQQY-UHFFFAOYSA-N | BBL101637 | EN

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488190437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190437
• Sonrisas canónicas: C1=C(C=NC=C1Cl)O
• IUPAC Name: 5-chloropyridin-3-ol
• InChIKey: TUIDQYRZDZRHPQ-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H
• Isómeros SMILES: C1=C(C=NC=C1Cl)O
• WGK Alemania: 3
• Peso molecular: 129.54
• Reaxy-Rn: 1422550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422550&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 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
• Descripción: This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl 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

Propiedades químicas y físicas

• Punto de fusión (°C): 160-162°C
• Peso molecular: 129.539 g/mol
• XLogP3: 1.600
• 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

Referencias

1. Haiyang Tang, Hongli Zhong, Yang Pan, Qing Zhou, Zongli Huo, Wenhai Chu, Bin Xu.  (2021)  A New Group of Heterocyclic Nitrogenous Disinfection Byproducts (DBPs) in Drinking Water: Role of Extraction pH in Unknown DBP Exploration.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:33928775] [10.1021/acs.est.1c00078]