sodium 3-nitrobenzenesulfonate

CAS: 127-68-4

Molecular Formula	`C6H4NNaO5S`
Molecular Weight	225.16 g/mol
Topological Polar Surface Area	111.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	224.9708
Heavy Atoms	14
Complexity	274.0

Chemical Identifiers

CAS Number	127-68-4
SMILES	`C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]`
InChIKey	`LJRGBERXYNQPJI-UHFFFAOYSA-M`

📖 Product Overview

sodium 3-nitrobenzenesulfonate (CAS: 127-68-4) is a chemical compound with molecular formula C6H4NNaO5S and molecular weight 225.16 g/mol. Its IUPAC systematic name is sodium 3-nitrobenzenesulfonate. Topological Polar Surface Area 111.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 0 Exact Mass 224.9708 Heavy Atoms 14 Complexity 274.0 InChI Key: LJRGBERXYNQPJI-UHFFFAOYSA-M. SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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