5-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile CAS 1803591-07-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1803591-07-2
Molecular FormulaC9H6FN
Molecular Weight147.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile CAS 1803591-07-2 chemical structure

Description

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.

5-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS 1803591-07-2), molecular formula C9H6FN and molecular weight 147.15 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H6FN, 5-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile 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 147.15 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

As a certified reference material (CRM), 5-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-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 FormulaC9H6FN
Molecular Weight147.15 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF-containing
Nitrogen Atoms1

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