(E)-3-(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)benzonitrile CAS 101048-56-0

Purity 97%+In StockPharmaceutical Standards
CAS No.101048-56-0
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-3-(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)benzonitrile CAS 101048-56-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 225.17 g/mol gives (E)-3-(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)benzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(E)-3-(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)benzonitrile (CAS 101048-56-0) is a high-purity analytical reference standard with the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, (E)-3-(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)benzonitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 225.17 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

As a certified reference material (CRM), (E)-3-(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)benzonitrile 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 FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
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.)1985
Halogen ContentF-containing
Nitrogen Atoms1

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