3-Chloro-N,N-bis(cyanomethyl)benzamide CAS 54240-91-4

Purity 97%+In StockPharmaceutical Standards
CAS No.54240-91-4
Molecular FormulaC11H8ClN3O
Molecular Weight233.65 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Chloro-N,N-bis(cyanomethyl)benzamide CAS 54240-91-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 233.65 g/mol gives 3-Chloro-N,N-bis(cyanomethyl)benzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-Chloro-N,N-bis(cyanomethyl)benzamide (CAS 54240-91-4), a certified reference material (molecular formula C11H8ClN3O, MW 233.65 g/mol) for analytical method development and quality control.

Structurally, 3-Chloro-N,N-bis(cyanomethyl)benzamide (C11H8ClN3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 233.65 g/mol, it falls into the medium-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.

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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC11H8ClN3O
Molecular Weight233.65 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Halogen ContentCl-containing
Nitrogen Atoms3

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