5-fluoro-2-isocyanatobenzonitrile CAS 923232-26-2

Purity 97%+In StockPharmaceutical Standards
CAS No.923232-26-2
Molecular FormulaC8H3FN2O
Molecular Weight162.12 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-fluoro-2-isocyanatobenzonitrile CAS 923232-26-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 162.12 g/mol gives 5-fluoro-2-isocyanatobenzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-fluoro-2-isocyanatobenzonitrile (CAS 923232-26-2) is a high-purity analytical reference standard with the molecular formula C8H3FN2O and a molecular weight of 162.12 g/mol.

Structurally, 5-fluoro-2-isocyanatobenzonitrile (C8H3FN2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 162.12 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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-fluoro-2-isocyanatobenzonitrile 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.)1987
Halogen ContentF-containing
Nitrogen Atoms2

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