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CHEBI:53053 - 1-chloro-2,4,6-trinitrobenzene
| Formula | C6H2ClN3O6 |
| Net Charge | 0 |
| Average Mass | 247.550 |
| Monoisotopic Mass | 246.96321 |
| SMILES | O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 |
| InChI | InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H |
| InChIKey | HJRJRUMKQCMYDL-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | explosive A substance capable of undergoing rapid and highly exothermic decomposition. |
| Biological Roles: | allergen 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. hapten 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. 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. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| 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) |
| IUPAC Name |
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| 2-chloro-1,3,5-trinitrobenzene |
| Synonyms | Source |
|---|---|
| 2-Chloro-1,3,5-trinitrobenzene | ChemIDplus |
| Picryl chloride | ChemIDplus |
| 1-Chloro-2,4,6-trinitrobenzene | ChemIDplus |
| 2,4,6-Trinitro-1-chlorobenzene | ChemIDplus |
| 2,4,6-Trinitrochlorobenzene | ChemIDplus |
| Tncb | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| Picryl_chloride | Wikipedia |
| Citations |
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