2-Phenyl-d5-ethyl Isothiocyanate CAS 912627-98-6

Purity 97%+In StockPharmaceutical Standards
CAS No.912627-98-6
Molecular Formula-
Molecular Weight168.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Phenyl-d5-ethyl Isothiocyanate CAS 912627-98-6 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.

2-Phenyl-d5-ethyl Isothiocyanate (CAS 912627-98-6) is a high-purity analytical reference standard with the molecular formula C9H4D5NS and a molecular weight of 168.27 g/mol.

Owing to deuterium isotope labeling, a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 2-Phenyl-d5-ethyl Isothiocyanate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 168.27 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC9H4D5NS
Molecular Weight168.27 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms1
Sulfur Atoms1

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