3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetranitro-3H-benzo[c][1,2]oxathiole 1,1-dioxide CAS 57564-54-2

Purity 97%+In StockPharmaceutical Standards
CAS No.57564-54-2
Molecular FormulaC19H10N4O13S
Molecular Weight534.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetranitro-3H-benzo[c][1,2]oxathiole 1,1-dioxide CAS 57564-54-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 534.37 g/mol gives 3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetranitro-3H-benzo[c][1,2]oxathiole 1,1-dioxide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetranitro-3H-benzo[c][1,2]oxathiole 1,1-dioxide (CAS 57564-54-2), molecular formula C19H10N4O13S and molecular weight 534.37 g/mol, is a CATO reference standard with documented purity and traceability.

3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetranitro-3H-benzo[c][1,2]oxathiole 1,1-dioxide (C19H10N4O13S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), 3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetranitro-3H-benzo[c][1,2]oxathiole 1,1-dioxide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC19H10N4O13S
Molecular Weight534.37 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1973
Nitrogen Atoms4
Sulfur Atoms1

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