2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid CAS 131401-56-4

Purity 97%+In StockPharmaceutical Standards
CAS No.131401-56-4
Molecular FormulaC12H13F2NO3
Molecular Weight257.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid CAS 131401-56-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 257.23 g/mol gives 2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid (CAS 131401-56-4) is a high-purity analytical reference standard with the molecular formula C12H13F2NO3 and a molecular weight of 257.23 g/mol.

Structurally, 2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid (C12H13F2NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 257.23 g/mol, it falls into the medium-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.

As a certified reference material (CRM), 2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid 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 FormulaC12H13F2NO3
Molecular Weight257.23 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-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 chloroform, dichloromethane, ethyl acetate, 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.)1994
Halogen ContentF-containing
Nitrogen Atoms1

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