1-(3,3-Dimethylbut-1-yn-1-yl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one CAS 135226-09-4

Purity 97%+In StockPharmaceutical Standards
CAS No.135226-09-4
Molecular FormulaC13H13IO2
Molecular Weight328.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3,3-Dimethylbut-1-yn-1-yl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one CAS 135226-09-4 chemical structure

Description

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

CATO supplies 1-(3,3-Dimethylbut-1-yn-1-yl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (CAS 135226-09-4), a certified reference material (molecular formula C13H13IO2, MW 328.15 g/mol) for analytical method development and quality control.

The molecular framework of 1-(3,3-Dimethylbut-1-yn-1-yl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (C13H13IO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).

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 FormulaC13H13IO2
Molecular Weight328.15 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentI-containing

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