Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate CAS 2137649-82-0

Purity 97%+In StockPharmaceutical Standards
CAS No.2137649-82-0
Molecular FormulaC8H4ClF3O4S
Molecular Weight288.63 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate CAS 2137649-82-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 288.63 g/mol gives Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate (CAS 2137649-82-0), molecular formula C8H4ClF3O4S and molecular weight 288.63 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate (C8H4ClF3O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 288.63 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC8H4ClF3O4S
Molecular Weight288.63 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997
Halogen ContentF/Cl-containing
Sulfur Atoms1

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