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

CAS: 626-64-2 Cat. No.: H106341 Formula: C₅H₅NO Molecular Weight: 95.1 Beilstein Registry Number: 105800 EC Number: 210-958-3

GRADE & PURITY ≥97%

Synonyms

4-Pyridinol|4-Pyridone|p-Hydroxypyridine|pyridin-4-ol|4-HYDROXYPYRIDINE|4-hydroxy-pyridine|gamma-Pyridone|gamma-Hydroxypyridine|4-hydroxypridine|CQG|.gamma.-Hydroxypyridine|Pyridin-4-one|4(1H)-Pyridone|Butanoic acid,heptafluoro-,1,10-decanediyl ester(9ci)|4-Pyridinone|4-Pyridol|1,4-Dihydro-4-pyridinone|.gamma.-Pyridone|4-Oxopyridine|HYDROXYPYRIDINE, 4-|1H-pyridin-4-one|pyridin-4(1H)-one

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

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

Synonyms

4-Pyridinol | 4-Pyridone | p-Hydroxypyridine | pyridin-4-ol | 4-HYDROXYPYRIDINE | 4-hydroxy-pyridine | gamma-Pyridone | gamma-Hydroxypyridine | 4-hydroxypridine | CQG | .gamma.-Hydroxypyridine | Pyridin-4-one | 4(1H)-Pyridone | Butanoic acid,heptafluoro-,1,10-decanediyl ester(9ci) | 4-Pyridinone | 4-Pyridol | 1,4-Dihydro-4-pyridinone | .g Show more

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

508809733

Canonical Smiles

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)

Isomeric SMILES

C1=CNC=CC1=O

WGK Germany

3

RTECS

UU7701450

Molecular Weight

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
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic & Light sensitive
• Flash Point(°F): 221 °C
• Flash Point(°C): 221°C
• Boil Point(°C): 230-235°C
• Melt Point(°C): 148°C
• Molecular Weight: 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