Isocyanurate-based isophorone diisocyanate trimer CAS 67873-91-0

Purity 97%+In StockPharmaceutical Standards
CAS No.67873-91-0
Molecular FormulaC36H54N6O6
Molecular Weight666.85 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Isocyanurate-based isophorone diisocyanate trimer CAS 67873-91-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 666.85 g/mol gives Isocyanurate-based isophorone diisocyanate trimer distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Isocyanurate-based isophorone diisocyanate trimer (CAS 67873-91-0), molecular formula C36H54N6O6 and molecular weight 666.85 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of Isocyanurate-based isophorone diisocyanate trimer (C36H54N6O6) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC36H54N6O6
Molecular Weight666.85 g/mol
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
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1976
Nitrogen Atoms6

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