3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid CAS 34576-90-4

Purity 97%+In StockPharmaceutical Standards
CAS No.34576-90-4
Molecular FormulaC9H3Cl3O2S
Molecular Weight281.54 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid CAS 34576-90-4 chemical structure

Description

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.

3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid (CAS 34576-90-4) is a high-purity analytical reference standard with the molecular formula C9H3Cl3O2S and a molecular weight of 281.54 g/mol.

Structurally, 3,4,6-Trichloro-1-benzothiophene-2-carboxylic acid (C9H3Cl3O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 281.54 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC9H3Cl3O2S
Molecular Weight281.54 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1966
Halogen ContentCl-containing
Sulfur Atoms1

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