3-sulfonato-1,2-Benzenedicarboxylate ammonium salt (1:1)
[CAS# 85959-15-5]

Identification

• Name: 3-sulfonato-1,2-Benzenedicarboxylate ammonium salt (1:1)
• Synonyms: ammonium dihydrogen 3-sulphonatophthalate
• Molecular Formula: C₈H₇NO₇S
• Molecular Weight: 261.21
• CAS Registry Number: 85959-15-5
• EINECS: 289-005-9
• SMILES: [NH4+].O=S([O-])(=O)c1cccc(c1C([O-])=O)C([O-])=O
• InChI: 1S/C8H6O7S.H3N/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1H3/p-2
• InChIKey: JPHSPXLEYNHBAV-UHFFFAOYSA-L

Properties

• Boiling point: 628.8°C at 760 mmHg (Cal.)
• Flash point: 334.1°C (Cal.)