Styphnic acid
Properties
- Molecular formula
- C6H3N3O8
- Molar mass
- 245.10 g/mol
- Exact mass
- 244.9920 Da
- Melting point
- 175.5 °C
- logP
- 0.82Crippen estimate
- Polar surface area
- 169.9 Ų
- H-bond donors / acceptors
- 2 / 8
- Rotatable bonds
- 3
Hazards
Danger
- H201 (Deleted) Explosive; mass explosion hazardExplosives
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 609-018-00-9), via PubChem.
Precautionary statements
P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, P501
Identifiers
CAS number
82-71-3SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1OInChIKey
IXHMHWIBCIYOAZ-UHFFFAOYSA-NInChI
InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1,3-Benzenediol, 2,4,6-trinitro-
- Resorcinol, 2,4,6-trinitro-
- 2,4,6-Trinitro-1,3-benzenediol
- 2,4-Dihydroxy-1,3,5-trinitrobenzene
- 2,4,6-Trinitroresorcinol
- 3-Hydroxy-2,4,6-trinitrophenol
- 1,3-Dihydroxy-2,4,6-trinitrobenzene
- NSC 36932
Work with Styphnic acid
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.
Similar compounds
Trinitro-m-cresol602-99-373 % similar
Picric acid88-89-164 % similar
2,4-Dinitroresorcinol519-44-863 % similar
2,6-Dinitro-4-fluorophenol364-32-962 % similar
2,6-Dinitro-p-cresol609-93-860 % similar
Martius yellow605-69-659 % similar
Dunnite131-74-858 % similar
4,6-Dinitroresorcinol616-74-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.