3-Methylsulfonyl-2,3',4',5,6-pentachlorobiphenyl CAS 116807-23-9

Purity 97%+In StockPharmaceutical Standards
CAS No.116807-23-9
Molecular FormulaC13H7Cl5O2S
Molecular Weight404.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methylsulfonyl-2,3',4',5,6-pentachlorobiphenyl CAS 116807-23-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 404.52 g/mol gives 3-Methylsulfonyl-2,3',4',5,6-pentachlorobiphenyl distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Methylsulfonyl-2,3',4',5,6-pentachlorobiphenyl (CAS 116807-23-9), molecular formula C13H7Cl5O2S and molecular weight 404.52 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-Methylsulfonyl-2,3',4',5,6-pentachlorobiphenyl (C13H7Cl5O2S) 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 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 404.52 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC13H7Cl5O2S
Molecular Weight404.52 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentCl-containing
Sulfur Atoms1

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