4-Chloropyridine N-Oxide - ≥97% , CAS No.1121-76-2

CAS: 1121-76-2 Cat. No.: C124261 Formule: C₅H₄ClNO Poids moléculaire: 129.54 Beilstein Registry Number: 20(5)5,412 Numéro CE: 214-336-2

QUALITÉ & PURETÉ ≥97%

Synonyms

DPJVRASYWYOFSJ-UHFFFAOYSA-N | DTXSID0041513 | F3196UEB9Q | O-(4-hydroxy-3-iodophenyl)-3,5-diiodotyrosine | 4-Chloro-pyridine N-oxide | 4-Chloropyridine N-oxide | 4-Chloropyridine oxide | NCGC00254787-01 | Tox21_300883 | 4-chloropiridine-N-oxide | FT-06333

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

4-Chloropyridine N-oxide was used as oxygen source in the preparation of [(N,N′-bis(2-methyl-2-mercaptopropane)-1,5-diazacyclooctane)Fe]2O complexes

Spécifications

Synonymes

DPJVRASYWYOFSJ-UHFFFAOYSA-N | DTXSID0041513 | F3196UEB9Q | O-(4-hydroxy-3-iodophenyl)-3,5-diiodotyrosine | 4-Chloro-pyridine N-oxide | 4-Chloropyridine N-oxide | 4-Chloropyridine oxide | NCGC00254787-01 | Tox21_300883 | 4-chloropiridine-N-oxide | FT-06333

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508809503

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809503

Sourires canoniques

C1=C[N+](=CC=C1Cl)[O-]

IUPAC Name

4-chloro-1-oxidopyridin-1-ium

InChIKey

DPJVRASYWYOFSJ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=C[N+](=CC=C1Cl)[O-]

WGK Allemagne

3

Poids moléculaire

129.54

Beilstein

20(5)5,412

Reaxy-Rn

107578

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107578&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive,Moisture sensitive,light sensitive
• Point de fusion (°C): 160°C
• Poids moléculaire: 129.539 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.998 Da
• Monoisotopic Mass: 128.998 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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