2-(Bromomethyl)-7-cyanobenzo[d]oxazole CAS 1806426-59-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1806426-59-4
Molecular FormulaC9H5BrN2O
Molecular Weight237.05 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Bromomethyl)-7-cyanobenzo[d]oxazole CAS 1806426-59-4 chemical structure

Description

The occurrence of 2-(Bromomethyl)-7-cyanobenzo[d]oxazole is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(Bromomethyl)-7-cyanobenzo[d]oxazole (CAS 1806426-59-4), molecular formula C9H5BrN2O and molecular weight 237.05 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 2-(Bromomethyl)-7-cyanobenzo[d]oxazole (C9H5BrN2O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine 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. 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 FormulaC9H5BrN2O
Molecular Weight237.05 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, 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
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentBr-containing
Nitrogen Atoms2

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Why CATO?