Sodium 3,5-dicarboxybenzenesulfonate
[CAS# 90021-69-5]

Identification

• Name: Sodium 3,5-dicarboxybenzenesulfonate
• Synonyms: 142794_Aldrich; 5-Sulfoisophthalic Acid Sodium Salt; 1,3-Benzenedicarboxylic Acid, 5-Sulfo-, Monosodium Salt
• Molecular Formula: C₈H₅NaO₇S
• Molecular Weight: 268.17
• CAS Registry Number: 90021-69-5
• SMILES: C1=C(C=C(C=C1[S](=O)(=O)[O-])C(O)=O)C(O)=O.[Na+]
• InChI: 1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
• InChIKey: YXTFRJVQOWZDPP-UHFFFAOYSA-M

Properties

• Melting point: 300°C (Expl.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Li et al.. Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra, Nature Chemistry, 2010