Methyl 5-amino-4-fluoro-2-(trifluoromethyl)benzoate CAS 1806965-42-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1806965-42-3
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-amino-4-fluoro-2-(trifluoromethyl)benzoate CAS 1806965-42-3 chemical structure

Description

The occurrence of Methyl 5-amino-4-fluoro-2-(trifluoromethyl)benzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl 5-amino-4-fluoro-2-(trifluoromethyl)benzoate (CAS 1806965-42-3), molecular formula C9H7F4NO2 and molecular weight 237.15 g/mol, is a CATO reference standard with documented purity and traceability.

Methyl 5-amino-4-fluoro-2-(trifluoromethyl)benzoate (C9H7F4NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

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 FormulaC9H7F4NO2
Molecular Weight237.15 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 tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.)1995
Halogen ContentF-containing
Nitrogen Atoms1

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