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6-Nitroquinoxaline - 98%, high purity , CAS No.6639-87-8
Basic Description
Synonyms
6-nitroquinoxaline | 6639-87-8 | Quinoxaline, 6-nitro- | TCMDC-123943 | 6-nitro-quinoxaline | MFCD00462822 | CHEMBL380630 | NSC48950 | NSC 48950 | Quinoxaline,6-nitro- | 6-Nitroquinoxaline, 97% | SCHEMBL212004 | WLN: T66 BN ENJ HNW | DTXSID70216616 | YLKFDRWBZAALPN-UHFFFAOYSA-N | AMY1
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinoxalines
Alternative Parents
Nitroaromatic compounds Pyrazines Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoxaline - Nitroaromatic compound - Pyrazine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
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
488186961
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186961
IUPAC Name
6-nitroquinoxaline
INCHI
InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H
InChIKey
YLKFDRWBZAALPN-UHFFFAOYSA-N
Smiles
C1=CC2=NC=CN=C2C=C1[N+](=O)[O-]
Isomeric SMILES
C1=CC2=NC=CN=C2C=C1[N+](=O)[O-]
Molecular Weight
175.14
Reaxy-Rn
147500
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147500&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
169-171°
Molecular Weight
175.140 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
175.038 Da
Monoisotopic Mass
175.038 Da
Topological Polar Surface Area
71.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
204.000
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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