CHEBI:46149 - picric acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name picric acid
ChEBI ID CHEBI:46149
Definition A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46148, CHEBI:32972
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Formula C6H3N3O7
Net Charge 0
Average Mass 229.10390
InChI InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
InChIKey OXNIZHLAWKMVMX-UHFFFAOYSA-N
SMILES Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role(s): explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
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 picric acid (CHEBI:46149) has functional parent 1,3,5-trinitrobenzene (CHEBI:48113)
picric acid (CHEBI:46149) has functional parent phenol (CHEBI:15882)
picric acid (CHEBI:46149) has role antiseptic drug (CHEBI:48218)
picric acid (CHEBI:46149) has role explosive (CHEBI:63490)
picric acid (CHEBI:46149) is a C-nitro compound (CHEBI:35716)
Incoming TNP-ATP (CHEBI:50104) has functional parent picric acid (CHEBI:46149)
IUPAC Name
2,4,6-trinitrophenol
Synonyms Sources
2-hydroxy-1,3,5-trinitrobenzene NIST Chemistry WebBook
acide picrique ChemIDplus
PICRIC ACID PDBeChem
Pikrinsäure ChemIDplus
Database Links Databases
DB03651 DrugBank
Picric_acid Wikipedia
TNF PDBeChem
View more database links
Registry Numbers Types Sources
423400 Beilstein Registry Number Beilstein
423400 Reaxys Registry Number Reaxys
5312 Gmelin Registry Number Gmelin
88-89-1 CAS Registry Number NIST Chemistry WebBook
88-89-1 CAS Registry Number ChemIDplus
Last Modified
05 January 2012