2,4-dinitrobenzenesulfonic acid: retrosynthesis target

Looking for routes to 2,4-dinitrobenzenesulfonic acid? 2,4-dinitrobenzenesulfonic acid presents a C6 framework, aromatic rings, a nitro group. Use the planner with prefilled SMILES, or copy O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1 (CAS 89-02-1).

Target: 2,4-dinitrobenzenesulfonic acid
CAS: 89-02-1
Formula: C6H4N2O7S
Approx. MW: 248.17
SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1
PubChem CID: 6959
Approx. carbons: C6

2,4-dinitrobenzenesulfonic acid structure

Properties

IUPAC name: 2,4-dinitrobenzenesulfonic acid
Molecular weight: 248.17
Exact mass: 247.97
InChIKey: OVOJUAKDTOOXRF-UHFFFAOYSA-N

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2,4-dinitrobenzenesulfonic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2,4-dinitrobenzenesulfonic acid?

2,4-dinitrobenzenesulfonic acid has molecular formula C6H4N2O7S. Molecular weight about 248.17 g·mol⁻¹.

What is the CAS number of 2,4-dinitrobenzenesulfonic acid?

The CAS Registry Number for 2,4-dinitrobenzenesulfonic acid is 89-02-1.

Run AI retrosynthesis for 2,4-dinitrobenzenesulfonic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H4N2O7S.

Related targets

Similar compounds

1-Bromo-2-nitrobenzene 1-Bromo-3-nitrobenzene 1-Bromo-4-nitrobenzene 1-Chloro-3-nitrobenzene 1-Iodo-3-nitrobenzene 1-Iodo-4-nitrobenzene

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.