benzothiophen-5-ylboronic acid CAS 845872-49-3

Purity 97%+In StockPharmaceutical Standards
CAS No.845872-49-3
Molecular FormulaC8H7BO2S
Molecular Weight178.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

benzothiophen-5-ylboronic acid CAS 845872-49-3 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 benzothiophen-5-ylboronic acid.

benzothiophen-5-ylboronic acid (CAS 845872-49-3), molecular formula C8H7BO2S and molecular weight 178.02 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, benzothiophen-5-ylboronic acid (C8H7BO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 178.02 g/mol, it falls into the medium-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 FormulaC8H7BO2S
Molecular Weight178.02 g/mol
Purity97%+
StorageStore at 2-8°C
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Sulfur Atoms1

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