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2-Chloro-5-nitroaniline - 96% , high purity , CAS No.6283-25-6
Basic Description
Synonyms
2-CHLORO-5-NITROANILINE | 6283-25-6 | Benzenamine, 2-chloro-5-nitro- | 6-Chloro-3-nitroaniline | 2-chloro-5-nitro aniline | Aniline, 2-chloro-5-nitro- | 2-Chloro-5-nitrobenzenamine | 2-chloro-5-nitrophenylamine | NSC-7791 | DTXSID6038827 | PO198891S5 | Aniline, 6-chloro-3-nitr
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Aniline and substituted anilines Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504753092
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753092
IUPAC Name
2-chloro-5-nitroaniline
INCHI
InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey
KWIXNFOTNVKIGM-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
Isomeric SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
WGK Germany
3
RTECS
BX1500000
Molecular Weight
172.57
Beilstein
2208878
Reaxy-Rn
2208878
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208878&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
191℃
Flash Point(°C)
191℃
Melt Point(°C)
120°C
Molecular Weight
172.570 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
172.004 Da
Monoisotopic Mass
172.004 Da
Topological Polar Surface Area
71.800 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
Citations of This Product
1.
Jing-Bo Liu, Yu-Xin Li, Xiu-Lan Zhang, Xue-Wen Hua, Chang-Chun Wu, Wei Wei, Ying-Ying Wan, Dan-Dan Cheng, Li-Xia Xiong, Na Yang, Hai-Bin Song, Zheng-Ming Li.
(2016)
Novel Anthranilic Diamide Scaffolds Containing N-Substituted Phenylpyrazole as Potential Ryanodine Receptor Activators.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
64
(18):
(3697–3704).
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