1-(2-Chloroallyl)-2-(methylsulfonyl)-1H-imidazole CAS 1384694-69-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1384694-69-2
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2-Chloroallyl)-2-(methylsulfonyl)-1H-imidazole CAS 1384694-69-2 chemical structure

Description

The occurrence of 1-(2-Chloroallyl)-2-(methylsulfonyl)-1H-imidazole is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(2-Chloroallyl)-2-(methylsulfonyl)-1H-imidazole (CAS 1384694-69-2) is a high-purity analytical reference standard with the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol.

Structurally, 1-(2-Chloroallyl)-2-(methylsulfonyl)-1H-imidazole (C7H9ClN2O2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 220.68 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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