Methyl 4-(2-(Dimethylamino)vinyl)-3,5-dinitrobenzoate CAS 597562-13-5

Purity 97%+In StockPharmaceutical Standards
CAS No.597562-13-5
Molecular FormulaC12H13N3O6
Molecular Weight295.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-(2-(Dimethylamino)vinyl)-3,5-dinitrobenzoate CAS 597562-13-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 295.25 g/mol gives Methyl 4-(2-(Dimethylamino)vinyl)-3,5-dinitrobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 4-(2-(Dimethylamino)vinyl)-3,5-dinitrobenzoate (CAS 597562-13-5), molecular formula C12H13N3O6 and molecular weight 295.25 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H13N3O6, Methyl 4-(2-(Dimethylamino)vinyl)-3,5-dinitrobenzoate contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 295.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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 FormulaC12H13N3O6
Molecular Weight295.25 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Nitrogen Atoms3

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