Di-tert-butyl (6-bromo-7-chloroisoquinolin-3-yl)iminodicarbonate CAS 2769112-82-3

Purity 97%+In StockPharmaceutical Standards
CAS No.2769112-82-3
Molecular FormulaC19H22BrClN2O4
Molecular Weight457.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Di-tert-butyl (6-bromo-7-chloroisoquinolin-3-yl)iminodicarbonate CAS 2769112-82-3 chemical structure

Description

The occurrence of Di-tert-butyl (6-bromo-7-chloroisoquinolin-3-yl)iminodicarbonate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Di-tert-butyl (6-bromo-7-chloroisoquinolin-3-yl)iminodicarbonate (CAS 2769112-82-3) is a high-purity analytical reference standard with the molecular formula C19H22BrClN2O4 and a molecular weight of 457.75 g/mol.

Based on its molecular formula C19H22BrClN2O4, Di-tert-butyl (6-bromo-7-chloroisoquinolin-3-yl)iminodicarbonate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 457.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), Di-tert-butyl (6-bromo-7-chloroisoquinolin-3-yl)iminodicarbonate 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 FormulaC19H22BrClN2O4
Molecular Weight457.75 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentCl/Br-containing
Nitrogen Atoms2

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