2-Methoxycarbonylphenyl isothiocyanate Methyl 2-isothiocyanatobenzoate 2-Isothiocyanatobenzoic acid methyl ester 16024-82-1 CAS 16024-82-1

Purity 97%+In StockPharmaceutical Standards
CAS No.16024-82-1
Molecular FormulaC9H7NO2S
Molecular Weight193.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Methoxycarbonylphenyl isothiocyanate
Methyl 2-isothiocyanatobenzoate
2-Isothiocyanatobenzoic acid methyl ester
16024-82-1 CAS 16024-82-1 chemical structure

Description

CATO supplies 2-Methoxycarbonylphenyl isothiocyanate Methyl 2-isothiocyanatobenzoate 2-Isothiocyanatobenzoic acid methyl ester 16024-82-1 (CAS 16024-82-1), a certified reference material (molecular formula C9H7NO2S, MW 193.22 g/mol) for analytical method development and quality control.

Structurally, 2-Methoxycarbonylphenyl isothiocyanate Methyl 2-isothiocyanatobenzoate 2-Isothiocyanatobenzoic acid methyl ester 16024-82-1 (C9H7NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 193.22 g/mol, it falls into the medium-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.

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 FormulaC9H7NO2S
Molecular Weight193.22 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1961
Nitrogen Atoms1
Sulfur Atoms1

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