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CHEBI:34718 - 1-chloro-2,4-dinitrobenzene
| Formula | C6H3ClN2O4 |
| Net Charge | 0 |
| Average Mass | 202.553 |
| Monoisotopic Mass | 201.97813 |
| SMILES | O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1 |
| InChI | InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H |
| InChIKey | VYZAHLCBVHPDDF-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | 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. 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. sensitiser A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| 1-chloro-2,4-dinitrobenzene (CHEBI:34718) has role allergen (CHEBI:50904) |
| 1-chloro-2,4-dinitrobenzene (CHEBI:34718) has role epitope (CHEBI:53000) |
| 1-chloro-2,4-dinitrobenzene (CHEBI:34718) has role sensitiser (CHEBI:139492) |
| 1-chloro-2,4-dinitrobenzene (CHEBI:34718) is a C-nitro compound (CHEBI:35716) |
| 1-chloro-2,4-dinitrobenzene (CHEBI:34718) is a monochlorobenzenes (CHEBI:83403) |
| IUPAC Name |
|---|
| 1-chloro-2,4-dinitrobenzene |
| Synonyms | Source |
|---|---|
| Dinitrochlorobenzene | KEGG COMPOUND |
| 1-Chloro-2,4-dinitrobenzene | KEGG COMPOUND |
| 1,3-Dinitro-4-chlorobenzene | ChemIDplus |
| 1-Chloro-2,4-dinitrobenzol | ChemIDplus |
| 2,4-Dinitro-1-chlorobenzene | ChemIDplus |
| 2,4-Dinitrochlorobenzene | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| 1-chloro-2,4-dinitrobenzene | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C14397 | KEGG COMPOUND |
| 2,4-Dinitrochlorobenzene | Wikipedia |
| Citations |
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