4,6-Dibromo-2-(3-iodophenyl)benzo[d]oxazol-5-amine CAS 586996-09-0

Purity 97%+In StockPharmaceutical Standards
CAS No.586996-09-0
Molecular FormulaC13H7Br2IN2O
Molecular Weight493.92 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4,6-Dibromo-2-(3-iodophenyl)benzo[d]oxazol-5-amine CAS 586996-09-0 chemical structure

Description

Structurally, 4,6-Dibromo-2-(3-iodophenyl)benzo[d]oxazol-5-amine (C13H7Br2IN2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 493.92 g/mol, it falls into the moderately-high-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.

CATO supplies 4,6-Dibromo-2-(3-iodophenyl)benzo[d]oxazol-5-amine (CAS 586996-09-0), a certified reference material (molecular formula C13H7Br2IN2O, MW 493.92 g/mol) for analytical method development and quality control.

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 FormulaC13H7Br2IN2O
Molecular Weight493.92 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentBr/I-containing
Nitrogen Atoms2

Related Dibromo Standards

Recommended Standards

Why CATO?