2-(3-(Trifluoromethyl)isoxazol-5-yl)acetonitrile CAS 1420792-36-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1420792-36-4
Molecular FormulaC6H3F3N2O
Molecular Weight176.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3-(Trifluoromethyl)isoxazol-5-yl)acetonitrile CAS 1420792-36-4 chemical structure

Description

The occurrence of 2-(3-(Trifluoromethyl)isoxazol-5-yl)acetonitrile is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-(3-(Trifluoromethyl)isoxazol-5-yl)acetonitrile (CAS 1420792-36-4), a certified reference material (molecular formula C6H3F3N2O, MW 176.10 g/mol) for analytical method development and quality control.

2-(3-(Trifluoromethyl)isoxazol-5-yl)acetonitrile (C6H3F3N2O) contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC6H3F3N2O
Molecular Weight176.10 g/mol
AppearanceOff-white to pale 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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentF-containing
Nitrogen Atoms2

Related Trifluoromethyl Standards

Recommended Standards

Why CATO?