4-[4-(2,4-Dichlorobenzyl)homopiperazin-1-yl]-1,1,1-trifluorobut-3-en-2-one CAS 646455-44-9

Purity 97%+In StockPharmaceutical Standards
CAS No.646455-44-9
Molecular FormulaC16H17Cl2F3N2O
Molecular Weight381.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-[4-(2,4-Dichlorobenzyl)homopiperazin-1-yl]-1,1,1-trifluorobut-3-en-2-one CAS 646455-44-9 chemical structure

Description

Structurally, 4-[4-(2,4-Dichlorobenzyl)homopiperazin-1-yl]-1,1,1-trifluorobut-3-en-2-one (C16H17Cl2F3N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 381.22 g/mol, it falls into the moderately-high-molecular-weight range. 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 4-[4-(2,4-Dichlorobenzyl)homopiperazin-1-yl]-1,1,1-trifluorobut-3-en-2-one (CAS 646455-44-9), a certified reference material (molecular formula C16H17Cl2F3N2O, MW 381.22 g/mol) for analytical method development and quality control.

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

As a certified reference material (CRM), 4-[4-(2,4-Dichlorobenzyl)homopiperazin-1-yl]-1,1,1-trifluorobut-3-en-2-one 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 FormulaC16H17Cl2F3N2O
Molecular Weight381.22 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
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.)1985
Halogen ContentF/Cl-containing
Nitrogen Atoms2

Related Dichlorobenzyl Standards

Recommended Standards

Why CATO?