chempirical

2,4,6-Trinitrobenzenesulfonic acid

C6H3N3O9SCAS 2508-19-2293.16 g/mol

Open in Covalent MOL file
ON+O−N+OO−SOOOHN+OO−
NitroSulfonic acid

Properties

Molecular formula
C6H3N3O9S
Molar mass
293.16 g/mol
Exact mass
292.9590 Da
logP
0.66Crippen estimate
Polar surface area
183.8 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
4

Identifiers

CAS number
2508-19-2
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1
InChIKey
NHJVRSWLHSJWIN-UHFFFAOYSA-N
InChI
InChI=1S/C6H3N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2H,(H,16,17,18)

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonic acid, 2,4,6-trinitro-
  • Picryl sulfonic acid
  • Trinitrobenzenesulfonic acid
  • 2,4,6-Trinitrobenzene-1-sulfonic acid
  • 2,4,6-Trinitrophenylsulfonic acid
  • NSC 127994

Work with 2,4,6-Trinitrobenzenesulfonic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dinitrobenzenesulfonic acid89-02-164 % similar Picric acid88-89-155 % similar 4-Nitrobenzenesulfonic acid138-42-154 % similar 3-Nitrobenzenesulfonic acid98-47-553 % similar 1,3,6,8-Tetranitronaphthalene28995-89-352 % similar 2-Nitrobenzenesulfonic acid80-82-051 % similar Tnt118-96-750 % similar 4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia