methyl 2,5-difluoro-3-methyl-4-nitrobenzoate CAS 208165-81-5

Purity 97%+In StockPharmaceutical Standards
CAS No.208165-81-5
Molecular FormulaC9H7F2NO4
Molecular Weight231.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

methyl 2,5-difluoro-3-methyl-4-nitrobenzoate CAS 208165-81-5 chemical structure

Description

The occurrence of methyl 2,5-difluoro-3-methyl-4-nitrobenzoate 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 2,5-difluoro-3-methyl-4-nitrobenzoate (CAS 208165-81-5) is a high-purity analytical reference standard with the molecular formula C9H7F2NO4 and a molecular weight of 231.15 g/mol.

methyl 2,5-difluoro-3-methyl-4-nitrobenzoate (C9H7F2NO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC9H7F2NO4
Molecular Weight231.15 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 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.)2016
Halogen ContentF-containing
Nitrogen Atoms1

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