tert-Butyl 2,2-Dichloroacetate CAS 49653-47-6

Purity 97%+In StockPharmaceutical Standards
CAS No.49653-47-6
Molecular FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 2,2-Dichloroacetate CAS 49653-47-6 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 tert-Butyl 2,2-Dichloroacetate (CAS 49653-47-6), a certified reference material (molecular formula C6H10Cl2O2, MW 185.05 g/mol) for analytical method development and quality control.

Structurally, tert-Butyl 2,2-Dichloroacetate (C6H10Cl2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 185.05 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.

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 FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
Purity97%+
StorageStore at 2-8°C, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityContains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1971
Halogen ContentCl-containing

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