1189719-53-6 5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one CAS 1189719-53-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1189719-53-6
Molecular Formula-
Molecular Weight264.89 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1189719-53-6
5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one CAS 1189719-53-6 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1189719-53-6 5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one.

1189719-53-6 5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one (CAS 1189719-53-6), molecular formula C11HD17ClNOS and molecular weight 264.89 g/mol, is a CATO reference standard with documented purity and traceability.

1189719-53-6 5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one (C11HD17ClNOS) contains deuterium isotope labeling, a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

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 FormulaC11HD17ClNOS
Molecular Weight264.89 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
Degree of Unsaturation (DBE)11.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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