5-Chloro-2-(trifluoromethyl)benzoic acid methyl ester CAS 521064-74-4

Purity 97%+In StockPharmaceutical Standards
CAS No.521064-74-4
Molecular FormulaC9H6ClF3O2
Molecular Weight238.59 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Chloro-2-(trifluoromethyl)benzoic acid methyl ester CAS 521064-74-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 238.59 g/mol gives 5-Chloro-2-(trifluoromethyl)benzoic acid methyl ester distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Chloro-2-(trifluoromethyl)benzoic acid methyl ester (CAS 521064-74-4), molecular formula C9H6ClF3O2 and molecular weight 238.59 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system, 5-Chloro-2-(trifluoromethyl)benzoic acid methyl ester is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 238.59 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).

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.

CATO manufactures 5-Chloro-2-(trifluoromethyl)benzoic acid methyl ester 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.

Physical & Chemical Properties

Molecular FormulaC9H6ClF3O2
Molecular Weight238.59 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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.)1984
Halogen ContentF/Cl-containing

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