4-Hydroxypyridine - ≥97% , CAS No.626-64-2

CAS: 626-64-2 Cat. No.: H106341 Fórmula: C₅H₅NO Peso molecular: 95.1 Beilstein Registry Number: 105800 Número CE: 210-958-3

GRADE & PURITY ≥97%

Synonyms

4-Pyridinol | 4-Pyridone | BRN 0105800 | A8662 | AI3-61970 | HY-W007690 | SR-1C7 | BS-3730 | FT-0618744 | EINECS 210-958-3 | NSC 146174 | EN300-21574 | p-Hydroxypyridine | pyridin-4-ol | STL363251 | 5-21-07-00152 (Beilstein Handbook Reference) | MFCD00006

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

Solubility in water: Soluble Solubility in other solvents: Soluble in ethanol and methanol Slightly soluble in chloroform Pract. insoluble in ether and benzene Pract. insoluble in ether and benzene
It was used in the synthesis of (Ag3MoO3F3) (Ag3MoO4)Cl by hydro(solvato)thermal methods. It was used as model compound to study the natural photodegradation of representative aquatic environmental contaminants.

Specifications

Sinónimos

4-Pyridinol | 4-Pyridone | BRN 0105800 | A8662 | AI3-61970 | HY-W007690 | SR-1C7 | BS-3730 | FT-0618744 | EINECS 210-958-3 | NSC 146174 | EN300-21574 | p-Hydroxypyridine | pyridin-4-ol | STL363251 | 5-21-07-00152 (Beilstein Handbook Reference) | MFCD00006

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 508809733
• Sorrisos canónicos: C1=CNC=CC1=O
• IUPAC Name: 1H-pyridin-4-one
• InChIKey: GCNTZFIIOFTKIY-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
• SMILES isoméricas: C1=CNC=CC1=O
• WGK Alemanha: 3
• RTECS: UU7701450
• Peso molecular: 95.1
• Beilstein: 105800
• Reaxy-Rn: 105391
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105391&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: Dihydropyridines
• Alternative Parents: Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
• 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

• Sensibilidade: Hygroscopic & Light sensitive
• Ponto de inflamação (°F): 221 °C
• Ponto de inflamação (°C): 221°C
• Ponto de ebulição (°C): 230-235°C
• Ponto de fusão (°C): 148°C
• Peso molecular: 95.100 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 95.0371 Da
• Monoisotopic Mass: 95.0371 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 121.000
• 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