Ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-((2-(trifluoromethyl)phenyl)amino)thiophene-3-carboxylate CAS 680212-25-3

Purity 97%+In StockPharmaceutical Standards
CAS No.680212-25-3
Molecular FormulaC21H15ClF3N3O5S
Molecular Weight513.87 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-((2-(trifluoromethyl)phenyl)amino)thiophene-3-carboxylate CAS 680212-25-3 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.

Ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-((2-(trifluoromethyl)phenyl)amino)thiophene-3-carboxylate (CAS 680212-25-3), molecular formula C21H15ClF3N3O5S and molecular weight 513.87 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C21H15ClF3N3O5S, Ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-((2-(trifluoromethyl)phenyl)amino)thiophene-3-carboxylate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 513.87 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.

As a certified reference material (CRM), Ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-((2-(trifluoromethyl)phenyl)amino)thiophene-3-carboxylate 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 FormulaC21H15ClF3N3O5S
Molecular Weight513.87 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF/Cl-containing
Nitrogen Atoms3
Sulfur Atoms1

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