CHEBI:34718 - 1-chloro-2,4-dinitrobenzene

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ChEBI Name 1-chloro-2,4-dinitrobenzene
ChEBI ID CHEBI:34718
Definition A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H3ClN2O4
Net Charge 0
Average Mass 202.55200
Monoisotopic Mass 201.978
InChI InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey VYZAHLCBVHPDDF-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O
Roles Classification
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.
allergen
A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
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ChEBI Ontology
Outgoing 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) 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 Sources
1,3-Dinitro-4-chlorobenzene ChemIDplus
1-chloro-2,4-dinitrobenzene UniProt
1-Chloro-2,4-dinitrobenzene KEGG COMPOUND
1-Chloro-2,4-dinitrobenzol ChemIDplus
2,4-Dinitro-1-chlorobenzene ChemIDplus
2,4-Dinitrochlorobenzene NIST Chemistry WebBook
2,4-Dinitrophenyl chloride ChemIDplus
4-Chloro-1,3-dinitrobenzene ChemIDplus
6-Chloro-1,3-dinitrobenzene ChemIDplus
Cdnb NIST Chemistry WebBook
Chlorodinitrobenzene ChemIDplus
ClDNB ChEBI
Dinitrochlorobenzene KEGG COMPOUND
Dncb NIST Chemistry WebBook
DNCB ChEBI
DNPCl ChEBI
Database Links Databases
2,4-Dinitrochlorobenzene Wikipedia
C14397 KEGG COMPOUND
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Registry Numbers Types Sources
28481 Gmelin Registry Number Gmelin
613161 Reaxys Registry Number Reaxys
613161 Beilstein Registry Number Beilstein
97-00-7 CAS Registry Number NIST Chemistry WebBook
97-00-7 CAS Registry Number ChemIDplus
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Last Modified
17 November 2016