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2-Chloropyridine N-oxide hydrochloride - 97%, high purity , CAS No.20295-64-1
Basic Description
Synonyms
2-Chloropyridine N-oxide hydrochloride | MFCD00012805 | 2-Chloropyridine 1-oxide hydrochloride | 2-Chloropyridine1-oxidehydrochloride | NSC352281 | NSC-352281 | SB54327 | 2-Chloropyridine N-oxide hydrochloride, 97% | GRZNODNSNCXOHE-UHFFFAOYSA-N | Pyridine
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Product Description
2-Chloropyridine N-oxide hydrochloride was used in the synthesis of aminoheterocyclic analogs1 and 2-aminopyridine derivatives. It was also used in benzyl viologen enzyme assay of membrane fractions.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
2-halopyridines
Alternative Parents
Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Aryl chloride - Aryl halide - Pyridinium - Heteroaromatic compound - Azacycle - Organic oxide - Hydrochloride - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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.
Names and Identifiers
Pubchem Sid
488186496
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186496
IUPAC Name
2-chloro-1-oxidopyridin-1-ium;hydrochloride
INCHI
InChI=1S/C5H4ClNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
InChIKey
GRZNODNSNCXOHE-UHFFFAOYSA-N
Smiles
C1=CC=[N+](C(=C1)Cl)[O-].Cl
Isomeric SMILES
C1=CC=[N+](C(=C1)Cl)[O-].Cl
WGK Germany
3
Molecular Weight
166.01
Reaxy-Rn
3691451
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3691451&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Melt Point(°C)
138-142°C
Molecular Weight
166.000 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
164.975 Da
Monoisotopic Mass
164.975 Da
Topological Polar Surface Area
25.500 Ų
Heavy Atom Count
9
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
2
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J1631020