Tert-butyl 2,4-bis(trifluoromethyl)benzoate CAS 2586126-78-3

Purity 97%+In StockPharmaceutical Standards
CAS No.2586126-78-3
Molecular FormulaC13H12F6O2
Molecular Weight314.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl 2,4-bis(trifluoromethyl)benzoate CAS 2586126-78-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 314.22 g/mol gives Tert-butyl 2,4-bis(trifluoromethyl)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies Tert-butyl 2,4-bis(trifluoromethyl)benzoate (CAS 2586126-78-3), a certified reference material (molecular formula C13H12F6O2, MW 314.22 g/mol) for analytical method development and quality control.

Structurally, Tert-butyl 2,4-bis(trifluoromethyl)benzoate (C13H12F6O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 314.22 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC13H12F6O2
Molecular Weight314.22 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2001
Halogen ContentF-containing

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