2-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile CAS 877964-74-4

Purity 97%+In StockPharmaceutical Standards
CAS No.877964-74-4
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile CAS 877964-74-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile.

2-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile (CAS 877964-74-4) is a high-purity analytical reference standard with the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol.

Structurally, 2-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile (C13H14ClN3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine 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 327.79 g/mol, it falls into the moderately-high-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.

CATO manufactures 2-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile 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 FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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