86195

5-Sulfosalicylic acid dihydrate

purum p.a., ≥98.0% (T)

• Synonym(s): 2-Hydroxy-5-sulfobenzoic acid
• Linear Formula: HO₃SC₆H₃-2-(OH)CO₂H·2H₂O
• CAS Number: 5965-83-3
• Molecular Weight: 254.21
• Beilstein: 650741
• EC Number: 202-555-6
• MDL number: MFCD00149540
• UNSPSC Code: 12352100
• PubChem Substance ID: 329769448
• NACRES: NA.21

Properties

• grade: purum p.a.
• Quality Level: 200
• Assay: ≥98.0% (T)
• form: solid
• mp: 105-110 °C (lit.)
• solubility: water: soluble 127.1 g/L at 20 °C
• anion traces: chloride (Cl^-): ≤50 mg/kg
• cation traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• functional group: carboxylic acid; sulfonic acid
• SMILES string: [H]O[H].[H]O[H].OC(=O)c1cc(ccc1O)S(O)(=O)=O
• InChI: 1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
• InChI key: BHDKTFQBRFWJKR-UHFFFAOYSA-N

Description

General description

5-Sulfosalicylic acid is strongly acidic in nature. It exists in various hydrated forms such as dihydrate, dideuterate, trihydrate and pentahydrate. It acts as a ligand and forms various coordination complexes. It forms a complex with theophylline. Crystal structure of the complex was investigated by X-ray photoelectron spectroscopy (XPS).

Application

5-Sulfosalicylic acid dihydrate may be used in the preparation of 1:1 proton-transfer organic adduct, 3-aminopyridin­ium 3-carb­oxy-4-hydroxy­benzene­sulfonate monohydrate and the anhydrous adduct.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314
• Precautionary Statements: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves