Methyl 3-nitro-4-(trifluoromethoxy)benzoate CAS 728-54-1

Purity 97%+In StockPharmaceutical Standards
CAS No.728-54-1
Molecular FormulaC9H6F3NO5
Molecular Weight265.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-nitro-4-(trifluoromethoxy)benzoate CAS 728-54-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 265.14 g/mol gives Methyl 3-nitro-4-(trifluoromethoxy)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 3-nitro-4-(trifluoromethoxy)benzoate (CAS 728-54-1) is a high-purity analytical reference standard with the molecular formula C9H6F3NO5 and a molecular weight of 265.14 g/mol.

The molecular framework of Methyl 3-nitro-4-(trifluoromethoxy)benzoate (C9H6F3NO5) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

As a certified reference material (CRM), Methyl 3-nitro-4-(trifluoromethoxy)benzoate 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 FormulaC9H6F3NO5
Molecular Weight265.14 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1957
Halogen ContentF-containing
Nitrogen Atoms1

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