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2-Chloro-5-nitropyridine-3-carbonitrile - 97%, high purity , CAS No.31309-08-7
Discover 2-Chloro-5-nitropyridine-3-carbonitrile by Aladdin Scientific in 97% for only $192.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Chloro-5-nitronicotinonitrile | 31309-08-7 | 2-chloro-5-nitropyridine-3-carbonitrile | MFCD07345667 | 2-Chloro-3-cyano-5-nitropyridine | 3-PYRIDINECARBONITRILE, 2-CHLORO-5-NITRO- | SCHEMBL1816348 | 2-chloro-5-nitro-nicotinonitrile | DTXSID40342991 | AKOS005167523 | AB30621
Specifications & Purity
≥97%
Storage Temp
Room temperature
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
3-pyridinecarbonitriles 2-halopyridines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - 3-pyridinecarbonitrile - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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
IUPAC Name
2-chloro-5-nitropyridine-3-carbonitrile
INCHI
InChI=1S/C6H2ClN3O2/c7-6-4(2-8)1-5(3-9-6)10(11)12/h1,3H
InChIKey
CSDMFMSXIUTEFJ-UHFFFAOYSA-N
Smiles
C1=C(C=NC(=C1C#N)Cl)[N+](=O)[O-]
Isomeric SMILES
C1=C(C=NC(=C1C#N)Cl)[N+](=O)[O-]
Molecular Weight
183.55
Reaxy-Rn
150060
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150060&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.550 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
182.984 Da
Monoisotopic Mass
182.984 Da
Topological Polar Surface Area
82.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
231.000
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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