4-(Isocyanatomethyl)benzonitrile CAS 1205556-81-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1205556-81-5
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(Isocyanatomethyl)benzonitrile CAS 1205556-81-5 chemical structure

Description

The occurrence of 4-(Isocyanatomethyl)benzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-(Isocyanatomethyl)benzonitrile (CAS 1205556-81-5), a certified reference material (molecular formula C9H6N2O, MW 158.16 g/mol) for analytical method development and quality control.

The molecular framework of 4-(Isocyanatomethyl)benzonitrile (C9H6N2O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 4-(Isocyanatomethyl)benzonitrile 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 FormulaC9H6N2O
Molecular Weight158.16 g/mol
AppearancePale yellow to yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Nitrogen Atoms2

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