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Sigma-Aldrich

2,4-Dinitrobenzenesulfonic acid hydrate

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About This Item

Linear Formula:
(O2N)2C6H3SO3H · xH2O
CAS Number:
Molecular Weight:
248.17 (anhydrous basis)
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

mp

95-98 °C (lit.)

SMILES string

OS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

InChI

1S/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)

InChI key

OVOJUAKDTOOXRF-UHFFFAOYSA-N

Application

2,4-Dinitrobenzenesulfonic acid hydrate may be used in the synthesis of the corresponding α-hydroxyketone. It can be used as a catalyst in the amidation reaction, which involves the conversion of secondary-benzylic alcohols to N-benzylacetamides. It may also be used to prepare 1-octyl-2-pyrrolidinonium 2,4-dinitrobenzenesulfonate ([NOP][DNBSA]), a Brønsted-acidic ionic liquid, which can catalyze the synthesis of trioxane.

pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3


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