2-(1h-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)benzonitrile CAS 1094368-55-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1094368-55-4
Molecular FormulaC10H5F3N4
Molecular Weight238.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(1h-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)benzonitrile CAS 1094368-55-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 238.17 g/mol gives 2-(1h-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)benzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(1h-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)benzonitrile (CAS 1094368-55-4), molecular formula C10H5F3N4 and molecular weight 238.17 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C10H5F3N4, 2-(1h-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 238.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 manufactures 2-(1h-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)benzonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC10H5F3N4
Molecular Weight238.17 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing
Nitrogen Atoms4

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