3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid CAS 1864061-65-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1864061-65-3
Molecular FormulaC11H10F2O2S
Molecular Weight244.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid CAS 1864061-65-3 chemical structure

Description

The occurrence of 3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid (CAS 1864061-65-3), molecular formula C11H10F2O2S and molecular weight 244.26 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C11H10F2O2S, 3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 244.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC11H10F2O2S
Molecular Weight244.26 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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.)1995
Halogen ContentF-containing
Sulfur Atoms1

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