160954

Methyl 4-nitrobenzenesulfonate

99%

• Synonym(s): Methyl nosylate, Methyl p-nitrobenzenesulfonate, Methyl p-nitrotosylate
• Linear Formula: O₂NC₆H₄SO₃CH₃
• CAS Number: 6214-20-6
• Molecular Weight: 217.20
• Beilstein/REAXYS Number: 2277327
• EC Number: 228-282-2
• MDL number: MFCD00007344
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849896
• NACRES: NA.22

Properties

• assay: 99%
• form: solid
• mp: 89-92 °C (lit.)
• solubility: acetone: soluble 5%, clear, faintly yellow to greenish-yellow
• functional group: nitro; sulfonic acid
• SMILES string: COS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
• InChI: 1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
• InChI key: RMNJNEUWTBBZPT-UHFFFAOYSA-N

Description

General description

Reaction between methyl 4-nitrobenzenesulfonate and bromide ions has been studied in mixed single-chain-gemini micellar solutions. Kinetics of S_N2 reactions of methyl 4-nitrobenzenesulfonate with ammonia, primary amines, secondary amines, tertiary amines and anionic nucleophiles has been studied.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315
• Hazard Classifications: Skin Irrit. 2
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)