4-Chlorophenoxyacetonitrile 2-(4-chlorophenoxy)acetonitrile (4-chloro-phenoxy)-acetonitrile 4-chloro-o-cyanomethylphenol (4-chlorophenoxy)-acetonitrile p-chlorophenoxyacetonitrile 3598-13-8 CAS 3598-13-8

Purity 97%+In StockPharmaceutical Standards
CAS No.3598-13-8
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Chlorophenoxyacetonitrile 2-(4-chlorophenoxy)acetonitrile (4-chloro-phenoxy)-acetonitrile 4-chloro-o-cyanomethylphenol (4-chlorophenoxy)-acetonitrile p-chlorophenoxyacetonitrile 3598-13-8 CAS 3598-13-8 chemical structure

Description

The occurrence of 4-Chlorophenoxyacetonitrile 2-(4-chlorophenoxy)acetonitrile (4-chloro-phenoxy)-acetonitrile 4-chloro-o-cyanomethylphenol (4-chlorophenoxy)-acetonitrile p-chlorophenoxyacetonitrile 3598-13-8 is closely related to an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-Chlorophenoxyacetonitrile 2-(4-chlorophenoxy)acetonitrile (4-chloro-phenoxy)-acetonitrile 4-chloro-o-cyanomethylphenol (4-chlorophenoxy)-acetonitrile p-chlorophenoxyacetonitrile 3598-13-8 (CAS 3598-13-8), molecular formula C8H12ClNO and molecular weight 173.64 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C8H12ClNO, 4-Chlorophenoxyacetonitrile 2-(4-chlorophenoxy)acetonitrile (4-chloro-phenoxy)-acetonitrile 4-chloro-o-cyanomethylphenol (4-chlorophenoxy)-acetonitrile p-chlorophenoxyacetonitrile 3598-13-8 contains an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 173.64 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC8H12ClNO
Molecular Weight173.64 g/mol
AppearanceWhite 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 methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1958
Halogen ContentCl-containing
Nitrogen Atoms1

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