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

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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

Average Mass

202.55200

Monoisotopic Mass

201.97813

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. 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. 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.

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) 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

Last Modified

19 January 2018