3-(2,5-Dibromothiophen-3-yl)propanoic acid CAS 13191-40-7

Purity 97%+In StockPharmaceutical Standards
CAS No.13191-40-7
Molecular FormulaC7H6Br2O2S
Molecular Weight313.99 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(2,5-Dibromothiophen-3-yl)propanoic acid CAS 13191-40-7 chemical structure

Description

3-(2,5-Dibromothiophen-3-yl)propanoic acid (CAS 13191-40-7) is a high-purity analytical reference standard with the molecular formula C7H6Br2O2S and a molecular weight of 313.99 g/mol.

Structurally, 3-(2,5-Dibromothiophen-3-yl)propanoic acid (C7H6Br2O2S) 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 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 313.99 g/mol, it falls into the moderately-high-molecular-weight range. 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).

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 FormulaC7H6Br2O2S
Molecular Weight313.99 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; 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.)1960
Halogen ContentBr-containing
Sulfur Atoms1

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