2-Methyl-3-(trifluoromethyl)phenylisothiocyanate CAS 1000577-12-7

Purity 97%+In StockPharmaceutical Standards
CAS No.1000577-12-7
Molecular FormulaC9H6F3NS
Molecular Weight217.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Methyl-3-(trifluoromethyl)phenylisothiocyanate CAS 1000577-12-7 chemical structure

Description

The occurrence of 2-Methyl-3-(trifluoromethyl)phenylisothiocyanate is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-Methyl-3-(trifluoromethyl)phenylisothiocyanate (CAS 1000577-12-7), a certified reference material (molecular formula C9H6F3NS, MW 217.21 g/mol) for analytical method development and quality control.

2-Methyl-3-(trifluoromethyl)phenylisothiocyanate (C9H6F3NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

As a certified reference material (CRM), 2-Methyl-3-(trifluoromethyl)phenylisothiocyanate 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 FormulaC9H6F3NS
Molecular Weight217.21 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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-containing
Nitrogen Atoms1
Sulfur Atoms1

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