2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile CAS 477866-76-5

Purity 97%+In StockPharmaceutical Standards
CAS No.477866-76-5
Molecular FormulaC14H7ClF3NS
Molecular Weight313.73 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile CAS 477866-76-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 313.73 g/mol gives 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile (CAS 477866-76-5) is a high-purity analytical reference standard with the molecular formula C14H7ClF3NS and a molecular weight of 313.73 g/mol.

Structurally, 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile (C14H7ClF3NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 313.73 g/mol, it falls into the moderately-high-molecular-weight range. 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-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile 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 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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