5-Fluorobenzo[c]isoxazole-3-carbonitrile CAS 194873-12-6

Purity 97%+In StockPharmaceutical Standards
CAS No.194873-12-6
Molecular FormulaC8H3FN2O
Molecular Weight162.12 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Fluorobenzo[c]isoxazole-3-carbonitrile CAS 194873-12-6 chemical structure

Description

5-Fluorobenzo[c]isoxazole-3-carbonitrile (C8H3FN2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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.

CATO supplies 5-Fluorobenzo[c]isoxazole-3-carbonitrile (CAS 194873-12-6), a certified reference material (molecular formula C8H3FN2O, MW 162.12 g/mol) for analytical method development and quality control.

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), 5-Fluorobenzo[c]isoxazole-3-carbonitrile 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 FormulaC8H3FN2O
Molecular Weight162.12 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2012
Halogen ContentF-containing
Nitrogen Atoms2

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