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

CAS: 1121-76-2 Cat. No.: C124261 Formula: C₅H₄ClNO Peso molecolare: 129.54 Beilstein Registry Number: 20(5)5,412 Numero EC: 214-336-2

GRADE & PURITY ≥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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 508809503
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809503
• Sorrisi canonici: 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
• Isomeri SMILES: C1=C[N+](=CC=C1Cl)[O-]
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: light sensitive,Moisture sensitive,light sensitive
• Punto di fusione (°C): 160°C
• Peso molecolare: 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