CHEBI:53053 - 1-chloro-2,4,6-trinitrobenzene

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ChEBI Name 1-chloro-2,4,6-trinitrobenzene
Definition The C-nitro compound that is chlorobenzene with three nitro substituents in the 2-, 4- and 6-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H2ClN3O6
Net Charge 0
Average Mass 247.55000
Monoisotopic Mass 246.96321
InChI InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
SMILES [O-][N+](=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role(s): explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
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ChEBI Ontology
Outgoing 1-chloro-2,4,6-trinitrobenzene (CHEBI:53053) has role allergen (CHEBI:50904)
1-chloro-2,4,6-trinitrobenzene (CHEBI:53053) has role epitope (CHEBI:53000)
1-chloro-2,4,6-trinitrobenzene (CHEBI:53053) has role explosive (CHEBI:63490)
1-chloro-2,4,6-trinitrobenzene (CHEBI:53053) has role hapten (CHEBI:59174)
1-chloro-2,4,6-trinitrobenzene (CHEBI:53053) is a C-nitro compound (CHEBI:35716)
1-chloro-2,4,6-trinitrobenzene (CHEBI:53053) is a monochlorobenzenes (CHEBI:83403)
Synonyms Sources
1-Chloro-2,4,6-trinitrobenzene ChemIDplus
2,4,6-Trinitro-1-chlorobenzene ChemIDplus
2,4,6-Trinitrochlorobenzene ChemIDplus
2-Chloro-1,3,5-trinitrobenzene ChemIDplus
Picryl chloride ChemIDplus
Tncb NIST Chemistry WebBook
Trinitrochlorobenzene ChEBI
Manual Xref Database
Picryl_chloride Wikipedia
View more database links
Registry Numbers Types Sources
1588666 Reaxys Registry Number Reaxys
1588666 Beilstein Registry Number Beilstein
241377 Gmelin Registry Number Gmelin
88-88-0 CAS Registry Number ChemIDplus
88-88-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
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Last Modified
11 March 2019