1-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 691868-96-9

Purity 97%+In StockPharmaceutical Standards
CAS No.691868-96-9
Molecular FormulaC21H19F3N2S
Molecular Weight388.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 691868-96-9 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-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 691868-96-9), a certified reference material (molecular formula C21H19F3N2S, MW 388.45 g/mol) for analytical method development and quality control.

The molecular framework of 1-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (C21H19F3N2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

As a certified reference material (CRM), 1-(P-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 FormulaC21H19F3N2S
Molecular Weight388.45 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

Related P Standards

Recommended Standards

Why CATO?