1-isocyanato-4-isopropyl-benzene CAS 31027-31-3

Purity 97%+In StockPharmaceutical Standards
CAS No.31027-31-3
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-isocyanato-4-isopropyl-benzene CAS 31027-31-3 chemical structure

Description

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.

CATO supplies 1-isocyanato-4-isopropyl-benzene (CAS 31027-31-3), a certified reference material (molecular formula C10H17NO, MW 167.25 g/mol) for analytical method development and quality control.

Based on its molecular formula C10H17NO, 1-isocyanato-4-isopropyl-benzene contains an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 167.25 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.

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 FormulaC10H17NO
Molecular Weight167.25 g/mol
AppearanceWhite to pale yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1965
Nitrogen Atoms1

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