1-Methyl-4-nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide CAS 94514-77-9

Purity 97%+In StockPharmaceutical Standards
CAS No.94514-77-9
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Methyl-4-nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide CAS 94514-77-9 chemical structure

Description

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

1-Methyl-4-nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide (CAS 94514-77-9), molecular formula C8H8N2O4S and molecular weight 228.23 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-Methyl-4-nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide (C8H8N2O4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 228.23 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

CATO manufactures 1-Methyl-4-nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide 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 FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Nitrogen Atoms2
Sulfur Atoms1

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