But-2-yne-1,4-diol2-(chloromethyl)oxirane CAS 68876-96-0

Purity 97%+In StockPharmaceutical Standards
CAS No.68876-96-0
Molecular FormulaC3H5ClO
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

But-2-yne-1,4-diol2-(chloromethyl)oxirane CAS 68876-96-0 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 But-2-yne-1,4-diol2-(chloromethyl)oxirane.

But-2-yne-1,4-diol2-(chloromethyl)oxirane (CAS 68876-96-0), molecular formula C3H5ClOC4H6O2 and molecular weight 178.61 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, But-2-yne-1,4-diol2-(chloromethyl)oxirane is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 178.61 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC3H5ClO C4H6O2
Molecular Weight178.61 g/mol
Purity97%+
StorageStore at 2-8°C, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityHygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1976
Halogen ContentCl-containing

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Why CATO?