6,7-Difluoro-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-benzotriazole CAS 2409580-04-5

Purity 97%+In StockPharmaceutical Standards
CAS No.2409580-04-5
Molecular FormulaC13H16BF2N3O2
Molecular Weight295.09 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6,7-Difluoro-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-benzotriazole CAS 2409580-04-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 295.09 g/mol gives 6,7-Difluoro-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-benzotriazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

6,7-Difluoro-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-benzotriazole (CAS 2409580-04-5), molecular formula C13H16BF2N3O2 and molecular weight 295.09 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 6,7-Difluoro-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-benzotriazole (C13H16BF2N3O2) 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 6.5, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 295.09 g/mol, it falls into the medium-molecular-weight range. 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), 6,7-Difluoro-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-benzotriazole 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 FormulaC13H16BF2N3O2
Molecular Weight295.09 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 DMSO, DMF, methanol
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)6.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2000
Halogen ContentF-containing
Nitrogen Atoms3

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