Methyl 4-(2-thioxo-5-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoate CAS 400736-31-4

Purity 97%+In StockPharmaceutical Standards
CAS No.400736-31-4
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-(2-thioxo-5-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoate CAS 400736-31-4 chemical structure

Description

CATO manufactures Methyl 4-(2-thioxo-5-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoate 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.

Methyl 4-(2-thioxo-5-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoate (CAS 400736-31-4), molecular formula C13H13F3N2O2S and molecular weight 318.31 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, Methyl 4-(2-thioxo-5-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 318.31 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

Physical & Chemical Properties

Molecular FormulaC13H13F3N2O2S
Molecular Weight318.31 g/mol
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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