3,5-Bis(trifluoromethyl)-2-chlorophenyl isothiocyanate CAS 1000572-38-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1000572-38-2
Molecular FormulaC9H2ClF6NS
Molecular Weight305.63 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,5-Bis(trifluoromethyl)-2-chlorophenyl isothiocyanate CAS 1000572-38-2 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 3,5-Bis(trifluoromethyl)-2-chlorophenyl isothiocyanate (CAS 1000572-38-2), a certified reference material (molecular formula C9H2ClF6NS, MW 305.63 g/mol) for analytical method development and quality control.

Structurally, 3,5-Bis(trifluoromethyl)-2-chlorophenyl isothiocyanate (C9H2ClF6NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 305.63 g/mol, it falls into the moderately-high-molecular-weight range. 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).

As a certified reference material (CRM), 3,5-Bis(trifluoromethyl)-2-chlorophenyl isothiocyanate 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 FormulaC9H2ClF6NS
Molecular Weight305.63 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentF/Cl-containing
Nitrogen Atoms1
Sulfur Atoms1

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