Dunnite

C6H6N4O7CAS 131-74-8246.13 g/mol

Open in Covalent MOL file
NH3ON+O−N+OO−OHN+OO−
NitroPhenol

Properties

Molecular formula
C6H6N4O7
Molar mass
246.13 g/mol
Exact mass
246.0236 Da
Density
1.72 g/mL
Melting point
277–282 °C (decomposes)
Boiling point
423 °C
Water solubility
10 g/L (20 °C)
logP
1.28Crippen estimate
Polar surface area
184.7 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
3

Hazards

Danger
Explosive (GHS01)Irritant (GHS07)

NITE-CMC, via PubChem.

Precautionary statements

P210, P230, P240, P250, P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P380, P372, P373, P401, P501

Identifiers

CAS number
131-74-8
SMILES
N.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIKey
PADMMUFPGNGRGI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3N3O7.H3N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;1H3

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Names and synonyms

7 names
  • Phenol, 2,4,6-trinitro-, ammonium salt (1:1)
  • Obeline picrate
  • Picric acid, ammonium salt
  • Phenol, 2,4,6-trinitro-, ammonium salt
  • Ammonium picrate
  • Picratol
  • Explosive D

Work with Dunnite

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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.

Picric acid88-89-1Free acid

Similar compounds

DNOC-ammonium2980-64-576 % similar 2-Chloro-4,6-dinitrophenol946-31-669 % similar 2-Methyl-4,6-dinitrophenol534-52-167 % similar Picramic acid96-91-367 % similar 3,5-Dinitrosalicylaldehyde2460-59-565 % similar 2,6-Dinitro-4-fluorophenol364-32-961 % similar Dinoterb1420-07-161 % similar 3,5-Dinitrosalicylic acid609-99-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia