Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonate CAS 104085-30-5

Purity 97%+In StockPharmaceutical Standards
CAS No.104085-30-5
Molecular FormulaC13H15BrO4S
Molecular Weight347.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonate CAS 104085-30-5 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 Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonate.

Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonate (CAS 104085-30-5) is a high-purity analytical reference standard with the molecular formula C13H15BrO4S and a molecular weight of 347.22 g/mol.

Structurally, Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonate (C13H15BrO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 347.22 g/mol, it falls into the moderately-high-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.

As a certified reference material (CRM), Diethyl 2-{[3-(bromomethyl)-2-thienyl]-methylene}malonate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC13H15BrO4S
Molecular Weight347.22 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentBr-containing
Sulfur Atoms1

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