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2-chloro-5-methyl-4-nitropyridine - 97%, high purity , CAS No.97944-45-1
Basic Description
Synonyms
2-Chloro-5-methyl-4-nitropyridine | 97944-45-1 | MFCD19690032 | Pyridine, 2-chloro-5-methyl-4-nitro- | SCHEMBL2669593 | DTXSID90540248 | AMY34741 | XDA94445 | AKOS015999228 | PB15420 | AC-25000 | AS-40170 | SY069129 | CS-0051943 | FT-0729771
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Methylpyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
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
504767399
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767399
IUPAC Name
2-chloro-5-methyl-4-nitropyridine
INCHI
InChI=1S/C6H5ClN2O2/c1-4-3-8-6(7)2-5(4)9(10)11/h2-3H,1H3
InChIKey
PEGDFBBVKXPIME-UHFFFAOYSA-N
Smiles
CC1=CN=C(C=C1[N+](=O)[O-])Cl
Isomeric SMILES
CC1=CN=C(C=C1[N+](=O)[O-])Cl
Molecular Weight
172.57
Reaxy-Rn
34926798
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34926798&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
172.570 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
172.004 Da
Monoisotopic Mass
172.004 Da
Topological Polar Surface Area
58.700 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
159.000
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
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K2327428
