1,2-Dibromo-5-difluoromethoxy-3-(trifluoromethylthio)benzene CAS 1805121-11-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1805121-11-2
Molecular FormulaC8H3Br2F5OS
Molecular Weight401.97 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,2-Dibromo-5-difluoromethoxy-3-(trifluoromethylthio)benzene CAS 1805121-11-2 chemical structure

Description

Structurally, 1,2-Dibromo-5-difluoromethoxy-3-(trifluoromethylthio)benzene (C8H3Br2F5OS) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/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 401.97 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

CATO supplies 1,2-Dibromo-5-difluoromethoxy-3-(trifluoromethylthio)benzene (CAS 1805121-11-2), a certified reference material (molecular formula C8H3Br2F5OS, MW 401.97 g/mol) for analytical method development and quality control.

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 FormulaC8H3Br2F5OS
Molecular Weight401.97 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF/Br-containing
Sulfur Atoms1

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