46125-42-2

Basic information

• Product Name: 3-(4-CHLOROPHENOXY)PROPANENITRILE
• Synonyms: 3-(p-chlorophenoxy)-propionitril;3-(p-chlorophenoxy)propionitrile;BUTTPARK 22\07-88;3-(4-CHLOROPHENOXY)PROPANENITRILE;4-CHLOROPHENOXYPROPIONITRILE;4-CHLOROPHENOXYPROPIIONITRILE
• CAS NO: 46125-42-2
• Molecular Formula: C₉H₈ClNO
• Molecular Weight: 181.62
• Mol File: 46125-42-2.mol
• Article Data: 5

Chemical Properties

• Melting Point: 46-49 °C(lit.)
• Boiling Point: 322.4°C at 760 mmHg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.196g/cm³
• Vapor Pressure: 0.00028mmHg at 25°C
• Refractive Index: 1.531
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-(4-CHLOROPHENOXY)PROPANENITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-CHLOROPHENOXY)PROPANENITRILE(46125-42-2)
• EPA Substance Registry System: 3-(4-CHLOROPHENOXY)PROPANENITRILE(46125-42-2)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 46125-42-2(Hazardous Substances Data)

Usage

General Description

3-(4-Chlorophenoxy)propanenitrile is a chemical compound with the molecular formula C9H7ClNO. It is a nitrile derivative of 4-chlorophenylacetone and is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 3-(4-CHLOROPHENOXY)PROPANENITRILE has a chlorine-substituted phenoxy group attached to a three-carbon chain with a nitrile functional group. It is known to have various physiological and toxicological properties and should be handled with care.

InChI:InChI=1/C9H8ClNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2

Upstream product

• 106-48-9 4-chloro-phenol 
• 107-13-1 acrylonitrile 

Downstream Products

• 3284-79-5 3-(4-chlorophenoxy)propionic acid 
• 3034-05-7 6-chloroflavanone 
• 175205-58-0 4,6-dichloro-2H-benzopyran-3-carbaldehyde 
• 37674-72-9 6-chloro-chroman-4-one 
• 50911-60-9 3-(4-chlorophenoxy)propan-1-amine 

Relevant articles and documents

Acid activated montmorillonite K-10 mediated intramolecular acylation: Simple and convenient synthesis of 4-chromanones

3-Aryloxyproionic acids undergo intramolecular cyclization in the presence of AA.Mont.K-10 in toluene under reflux for 30–45 min in good to excellent yields. Phenyl ring bearing various substituents at the ortho, meta, para positions undergo this cyclization reaction. This method involves simple work up and amenable for large scale preparations. The heterogeneous acid treated catalyst can be regenerated and used for up to three cycles with minimum loss of activity.

Efficient and rapid synthesis of phenolic analogs of 4-phenylbutanoic acid using microwave-assisted Michael addition as a key reaction

ABSTRACT: The addition of phenols to acrylonitrile in the presence of aqueous benzyltrimethylammonium hydroxide or tetramethylammonium hydroxide under microwave irradiation yielded the corresponding Michael adducts. The obtained adducts were easily transformed to phenolic analogs of 4-phenylbutanoic acids via the hydrolysis of nitrile groups.

Therapeutic amines

Compounds of formula I, and their pharmaceutically acceptable salts, STR1 in which R1 and R2 are hydrogen, alkyl, cycloalkyl, cycloalkylalkyl, phenylalkyl or alkenyl; or NR1 R2 is a heterocyclic group; A is trimethylene optionally substituted by alkyl and the phenyl ring is optionally substituted by substituents such as halogeno, alkenyl, amino, cyano, ureido, alkyl, carbamoylalkyl, alkanoylamino, alkoxycarbonyl, N-alkyl-alkanoylamino, alkanoyl and amines thereof; are inhibitors of squalene synthese and hence useful in treating diseases in which a lowering of cholesterol is desirable. As well as the use of these compounds in medicine, novel compounds, processes for their preparation and pharmaceutical compositions are also referred to.