CHEBI:42017 - 2,4-dinitrophenol

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ChEBI Name 2,4-dinitrophenol
Definition A dinitrophenol having the nitro groups at the 2- and 4-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42013, CHEBI:918
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Formula C6H4N2O5
Net Charge 0
Average Mass 184.10640
Monoisotopic Mass 184.01202
InChI InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
SMILES Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Metabolite of Species Details
Nocardioides sp. (NCBI:txid35761) of strain JS1661 See: PubMed
Roles Classification
Biological Role(s): oxidative phosphorylation inhibitor
Any compound that inhibits oxidative phosphorylation.
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.
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
Application(s): antiseptic drug
A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
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ChEBI Ontology
Outgoing 2,4-dinitrophenol (CHEBI:42017) has role allergen (CHEBI:50904)
2,4-dinitrophenol (CHEBI:42017) has role antiseptic drug (CHEBI:48218)
2,4-dinitrophenol (CHEBI:42017) has role bacterial xenobiotic metabolite (CHEBI:76976)
2,4-dinitrophenol (CHEBI:42017) has role oxidative phosphorylation inhibitor (CHEBI:73267)
2,4-dinitrophenol (CHEBI:42017) is a dinitrophenol (CHEBI:39352)
2,4-dinitrophenol (CHEBI:42017) is conjugate acid of 2,4-dinitrophenol(1−) (CHEBI:84561)
Incoming 4,6-dinitro-o-cresol (CHEBI:39349) has functional parent 2,4-dinitrophenol (CHEBI:42017)
2,4-dinitrophenol(1−) (CHEBI:84561) is conjugate base of 2,4-dinitrophenol (CHEBI:42017)
Synonyms Sources
1-hydroxy-2,4-dinitrobenzene ChemIDplus
2,4-Dinitrophenol KEGG COMPOUND
2,4-DNP NIST Chemistry WebBook
α-dinitrophenol NIST Chemistry WebBook
Manual Xrefs Databases
2,4-Dinitrophenol Wikipedia
CPD-8179 MetaCyc
DB04528 DrugBank
View more database links
Registry Numbers Types Sources
103005 Gmelin Registry Number Gmelin
1246142 Beilstein Registry Number Beilstein
1246142 Reaxys Registry Number Reaxys
51-28-5 CAS Registry Number ChemIDplus
51-28-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10509480 PubMed citation Europe PMC
10888472 PubMed citation Europe PMC
13532746 PubMed citation Europe PMC
15307184 PubMed citation Europe PMC
16661637 PubMed citation Europe PMC
25281383 PubMed citation Europe PMC
5959282 PubMed citation Europe PMC
9129253 PubMed citation Europe PMC
Last Modified
08 March 2019