Basic information
- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
OXNIZHLAWKMVMX-UHFFFAOYSA-M- Molecular formula
- C6H2N3O7-
- Average molar mass
- 228.1 g/mol
- Monoisotopic mass
- 227.98982298
Overview
Picrate anion is a phenolate anion resulting from deprotonation of the phenolic hydroxy group of picric acid. It is a conjugate base of a picric acid.
Names & identifiers
- Preferred name
- Picrate
- IUPAC
- 2,4,6-trinitrophenolate
- English name
- 2,4,6-Trinitrophenoxide
- Molecular weight
- 0
Names & synonyms
picrate14798-26-6DTXSID00403239RefChem:929260DTXCID803540932,4,6-trinitrophenolatepicrate anionPertite2,4,6-TrinitrophenoxideLydditeShimosepicrate ion
Show more names
Picric acidanion[2-(2-phenylethyl)phenyl]azaniumbis(3-azaniumylpropyl)-[2-(dimethylazaniumyl)ethyl]azanium
2,4,6-trinitrophenolate ion2,4,6-trinitrophenoxide ionCHEBI:86297OXNIZHLAWKMVMX-UHFFFAOYSA-M2,4,6-TNPQ27159059
Database identifiers
- CAS
14798-26-6- PubChem CID
- 4432340
- DTXSID
DTXSID00403239- ChEBI
CHEBI:86297- Nikkaji
- J82.397J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 292
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Chemical agents that uncouple oxidation from phosphorylation in the metabolic cycle so that ATP synthesis does not occur. Included here are those IONOPHORES that disrupt electron transfer by short-circuiting the proton gradient across mitochondrial membranes.
Suppliers1 total
MolMall Sarl[email protected]
Additional notes
DefinitionChEBI: Picrate anion is a phenolate anion resulting from deprotonation of the phenolic hydroxy group of picric acid. It is a conjugate base of a picric acid.
Related reactions
46 records
Linked notes
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