Methyl 3-(chloromethyl)-5-cyanobenzoate CAS 1393545-11-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1393545-11-3
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-(chloromethyl)-5-cyanobenzoate CAS 1393545-11-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 209.63 g/mol gives Methyl 3-(chloromethyl)-5-cyanobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 3-(chloromethyl)-5-cyanobenzoate (CAS 1393545-11-3) is a high-purity analytical reference standard with the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl 3-(chloromethyl)-5-cyanobenzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 209.63 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

CATO manufactures Methyl 3-(chloromethyl)-5-cyanobenzoate 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 FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentCl-containing
Nitrogen Atoms1

Related Methyl Standards

Recommended Standards

Why CATO?