4,4,4-Trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile CAS 81850-43-3

Purity 97%+In StockPharmaceutical Standards
CAS No.81850-43-3
Molecular FormulaC22H15F3NOP
Molecular Weight397.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4,4,4-Trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile CAS 81850-43-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 397.33 g/mol gives 4,4,4-Trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4,4,4-Trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile (CAS 81850-43-3), molecular formula C22H15F3NOP and molecular weight 397.33 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C22H15F3NOP, 4,4,4-Trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile contains a steroid core, an amide group, organophosphorus functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 397.33 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.

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

CATO manufactures 4,4,4-Trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC22H15F3NOP
Molecular Weight397.33 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
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)14.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980
Halogen ContentF-containing
Nitrogen Atoms1

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