375411

Sodium 3-sulfobenzoate

97%

• Synonym(s): 3-Carboxybenzenesulfonic acid sodium salt, 3-Sulfobenzoic acid sodium salt
• Linear Formula: NaO₃SC₆H₄CO₂H
• CAS Number: 17625-03-5
• Molecular Weight: 224.17
• Beilstein/REAXYS Number: 5675222
• EC Number: 241-602-5
• MDL number: MFCD00066378
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863386
• NACRES: NA.22

Properties

• assay: 97%
• form: powder
• mp: ≥300 °C (lit.)
• solubility: water: soluble 25 mg/mL, clear, colorless
• SMILES string: [Na+].OC(=O)c1cccc(c1)S([O-])(=O)=O
• InChI: 1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
• InChI key: KQHKITXZJDOIOD-UHFFFAOYSA-M

Description

General description

Sodium 3-sulfobenzoate is the sodium salt of 3-sulfobenzoic acid. Steady state method has been proposed for the evaluation of solubility of its binary solvent mixtures at high temperatures.

Application

Sodium 3-sulfobenzoate has been used in the synthesis of ionic liquid, 1-hexyl-3-propanenitrileimidazolium sulfobenzoate (SBA).

Sodium 3-sulfobenzoate is suitable for use in the preparation of {[Ce(3-SBH)(H₂O)₄]2CB₆}·4NO₃ and {[Nd(3-SBH)(H₂O)₄]₂CB₆}·4NO₃ [SBH=sulfobenzoic acid, CB6=cucurbit[6]uril] complexes. It may be used in the preparation of 4,4′-(ethene-1,2-diyl)dipyridinium bis(3-carboxybenzenesulfonate).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves