4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid CAS 565194-76-5

Purity 97%+In StockPharmaceutical Standards
CAS No.565194-76-5
Molecular FormulaC9H7N5O4S
Molecular Weight281.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid CAS 565194-76-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 281.25 g/mol gives 4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid (CAS 565194-76-5) is a high-purity analytical reference standard with the molecular formula C9H7N5O4S and a molecular weight of 281.25 g/mol.

The molecular framework of 4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid (C9H7N5O4S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC9H7N5O4S
Molecular Weight281.25 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Nitrogen Atoms5
Sulfur Atoms1

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