sodium 4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-3-methyl-phenolate
[CAS# 62625-31-4]

Identification

• Classification: Biochemical >> Biochemical reagent >> Acid-base indicator
• Name: sodium 4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-3-methyl-phenolate
• Synonyms: Sodium 4-[3-(4-Hydroxy-2-Methyl-Phenyl)-1,1-Dioxo-Benzo[C]Oxathiol-3-Yl]-3-Methyl-Phenolate; Sodium 4-[3-(4-Hydroxy-2-Methylphenyl)-1,1-Dioxo-3-Benzo[C]Oxathiolyl]-3-Methylphenolate; Sodium 4-[3-(4-Hydroxy-2-Methyl-Phenyl)-1,1-Diketo-Benzo[C]Oxathiol-3-Yl]-3-Methyl-Phenolate
• Molecular Formula: C₂₁H₁₇NaO₅S
• Molecular Weight: 404.41
• CAS Registry Number: 62625-31-4
• EINECS: 263-656-9
• SMILES: C2=C1C(O[S](=O)(=O)C1=CC=C2)(C3=CC=C([O-])C=C3C)C4=CC=C(O)C=C4C.[Na+]
• InChI: 1S/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21;/h3-12,22-23H,1-2H3;/q;+1/p-1
• InChIKey: ALWHNCXHKCVHCK-UHFFFAOYSA-M

Properties

• Boiling point: 577.5°C at 760 mmHg (Cal.)
• Flash point: 303°C (Cal.)