4-((1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)methyl)benzoic acid CAS 694473-93-3
| CAS No. | 694473-93-3 |
| Molecular Formula | C15H11NO5S |
| Molecular Weight | 317.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-((1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)methyl)benzoic acid (CAS 694473-93-3), molecular formula C15H11NO5S and molecular weight 317.32 g/mol, is a CATO reference standard with documented purity and traceability.
4-((1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)methyl)benzoic acid (C15H11NO5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 4-((1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)methyl)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C15H11NO5S |
| Molecular Weight | 317.32 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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