3-[(4-Chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-1-yl)benzonitrile CAS 454473-77-9

Purity 97%+In StockPharmaceutical Standards
CAS No.454473-77-9
Molecular FormulaC18H13ClN2O2S
Molecular Weight356.83 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(4-Chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-1-yl)benzonitrile CAS 454473-77-9 chemical structure

Description

Structurally, 3-[(4-Chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-1-yl)benzonitrile (C18H13ClN2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 356.83 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

3-[(4-Chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-1-yl)benzonitrile (CAS 454473-77-9), molecular formula C18H13ClN2O2S and molecular weight 356.83 g/mol, is a CATO reference standard with documented purity and traceability.

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), 3-[(4-Chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-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 FormulaC18H13ClN2O2S
Molecular Weight356.83 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

Related Chlorobenzenesulfonyl Standards

Recommended Standards

Why CATO?