556971
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)
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
mp
95-98 °C (lit.)
functional group
nitro, sulfonic acid
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.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
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"The Ritter reaction under truly catalytic Bronsted acid conditions"
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 556971-5G | 04061832582870 |
| 556971-25G | 04061832419848 |