3-Chloropyridine N-Oxide - ≥98% , CAS No.1851-22-5

CAS: 1851-22-5 Cat. No.: C340348 Molecular Weight: 129.54 EC Number: 835-542-4

GRADE & PURITY ≥98%

Synonyms

C2329 | 3-chloro-pyridine 1-oxide | 3-Chloropyridine 1-oxide | FT-0645949 | J-011867 | 3-chloro-1-oxidopyridin-1-ium | 3-chloro-pyridine-1-oxide | 3-Chloropyridine-1-oxide | 3-Chloropyridine1-oxide | 3-chloropyridin-1-ium-1-olate | EN300-156272 | SY073799

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

C2329 | 3-chloro-pyridine 1-oxide | 3-Chloropyridine 1-oxide | FT-0645949 | J-011867 | 3-chloro-1-oxidopyridin-1-ium | 3-chloro-pyridine-1-oxide | 3-Chloropyridine-1-oxide | 3-Chloropyridine1-oxide | 3-chloropyridin-1-ium-1-olate | EN300-156272 | SY073799

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756902
• Canonical Smiles: C1=CC(=C[N+](=C1)[O-])Cl
• IUPAC Name: 3-chloro-1-oxidopyridin-1-ium
• InChIKey: NEXUNCTUUDERGR-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClNO/c6-5-2-1-3-7(8)4-5/h1-4H
• Isomeric SMILES: C1=CC(=C[N+](=C1)[O-])Cl
• Molecular Weight: 129.54
• Reaxy-Rn: 107677
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107677&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Moisture sensitive
• Boil Point(°C): 89 °C/1 mmHg
• Melt Point(°C): 58 °C
• Molecular Weight: 129.539 g/mol
• XLogP3: 0.400
• 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: 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