n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate CAS 1160823-76-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1160823-76-6
Molecular FormulaC15H17Br2FO2S2
Molecular Weight472.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate CAS 1160823-76-6 chemical structure

Description

The occurrence of n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate (CAS 1160823-76-6) is a high-purity analytical reference standard with the molecular formula C15H17Br2FO2S2 and a molecular weight of 472.23 g/mol.

Based on its molecular formula C15H17Br2FO2S2, n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 472.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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), n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate 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 FormulaC15H17Br2FO2S2
Molecular Weight472.23 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF/Br-containing
Sulfur Atoms2

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