Methyl 2-chloro-5-isothiocyanatobenzoate CAS 91151-68-7

Purity 97%+In StockPharmaceutical Standards
CAS No.91151-68-7
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 2-chloro-5-isothiocyanatobenzoate CAS 91151-68-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 227.67 g/mol gives Methyl 2-chloro-5-isothiocyanatobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 2-chloro-5-isothiocyanatobenzoate (CAS 91151-68-7) is a high-purity analytical reference standard with the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol.

Based on its molecular formula C9H6ClNO2S, Methyl 2-chloro-5-isothiocyanatobenzoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 227.67 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).

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.

CATO manufactures Methyl 2-chloro-5-isothiocyanatobenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1983
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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