2-((4-Chlorophenyl)thio)-5-(trifluoromethyl)benzonitrile CAS 477866-87-8

Purity 97%+In StockPharmaceutical Standards
CAS No.477866-87-8
Molecular FormulaC14H7ClF3NS
Molecular Weight313.73 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Chlorophenyl)thio)-5-(trifluoromethyl)benzonitrile CAS 477866-87-8 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-((4-Chlorophenyl)thio)-5-(trifluoromethyl)benzonitrile (CAS 477866-87-8), molecular formula C14H7ClF3NS and molecular weight 313.73 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 2-((4-Chlorophenyl)thio)-5-(trifluoromethyl)benzonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 313.73 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC14H7ClF3NS
Molecular Weight313.73 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms1
Sulfur Atoms1

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