Picric acid

C6H3N3O7CAS 88-89-1229.10 g/mol

Open in Covalent MOL file
ON+O−N+OO−OHN+OO−
NitroPhenol

Properties

Molecular formula
C6H3N3O7
Molar mass
229.10 g/mol
Exact mass
228.9971 Da
Density
1.76 g/mL
Melting point
122–123 °C
Boiling point
above 300 °C
pKa
0.42 (24 °C)
Flash point
150 °C (closed cup)
Water solubility
14 g/L
logP
1.12Crippen estimate
Polar surface area
149.7 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
3

Hazards

Danger
Explosive (GHS01)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 609-009-00-X), via PubChem.

Precautionary statements

P210, P230, P240, P250, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P370+P380, P372, P373, P401, P403+P233, P405, P501

Identifiers

CAS number
88-89-1
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIKey
OXNIZHLAWKMVMX-UHFFFAOYSA-N
InChI
InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • Phenol, 2,4,6-trinitro-
  • 2,4,6-Trinitrophenol
  • C.I. 10305
  • Carbazotic acid
  • Nitroxanthic acid
  • Picronitric acid
  • Trinitrophenol
  • Melinite
  • Picral
  • 1-Hydroxy-2,4,6-trinitrobenzene
  • NSC 36947
  • NSC 56147

Work with Picric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dunnite131-74-8Salt

Similar compounds

2-Chloro-4,6-dinitrophenol946-31-676 % similar 2-Methyl-4,6-dinitrophenol534-52-173 % similar Picramic acid96-91-373 % similar 3,5-Dinitrosalicylaldehyde2460-59-571 % similar 2,6-Dinitro-4-fluorophenol364-32-968 % similar Dinoterb1420-07-167 % similar DNOC-ammonium2980-64-567 % similar 2,6-Dinitro-p-cresol609-93-866 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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