2-(4-Chloro-3-(trifluoromethyl)phenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Chloro-3-(trifluoromethyl)phenyl)acetonitrile
• CAS No.: 22902-82-5
• Molecular Formula: C9H5 Cl F3 N
• Molecular Weight: 219.594
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00407439
• Wikidata: Q72460276
• Mol file: 22902-82-5.mol

Synonyms:22902-82-5;2-(4-Chloro-3-(trifluoromethyl)phenyl)acetonitrile;4-Chloro-3-(trifluoromethyl)phenylacetonitrile;2-[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile;4-chloro-3-trifluoromethylphenylacetonitrile;Benzeneacetonitrile, 4-chloro-3-(trifluoromethyl)-;4-chloro-3-(trifluoromethyl)benzeneacetonitrile;[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile;SCHEMBL1678953;DTXSID00407439;CL8789;MFCD04116011;AKOS015956923;AS-46105;CS-0100864;(4-chloro-3-trifluoromethyl-phenyl)-acetonitrile;EN300-1931538;A816415;2-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanenitrile

Chemical Property of 2-(4-Chloro-3-(trifluoromethyl)phenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 0.0518mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 256.1°Cat760mmHg
• Flash Point: 108.7°C
• PSA: 23.79000
• Density: 1.363g/cm³
• LogP: 3.42488
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 219.0062613
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-3-(trifluoromethyl)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC#N)C(F)(F)F)Cl

Technology Process of 2-(4-Chloro-3-(trifluoromethyl)phenyl)acetonitrile

There total 4 articles about 2-(4-Chloro-3-(trifluoromethyl)phenyl)acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene (261763-23-9) + sodium cyanide (773837-37-9) → 2-(4-chloro-3-(trifluoromethyl)phenyl)acetonitrile (22902-82-5)

Guidance literature:

In dimethyl sulfoxide; at 50 ℃; for 1h;

Reference yield:

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene (261763-23-9) + sodium cyanide (143-33-9,25596-52-5) → 2-(4-chloro-3-(trifluoromethyl)phenyl)acetonitrile (22902-82-5)

Guidance literature:

In dimethyl sulfoxide; at 50 ℃; for 1h;

Reference yield:

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene (261763-23-9) + potassium cyanide (151-50-8) → 2-(4-chloro-3-(trifluoromethyl)phenyl)acetonitrile (22902-82-5)

Guidance literature:

In ethanol; water; at 60 ℃; for 2h;

upstream raw materials:

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene

sodium cyanide

potassium cyanide

(4-chloro-3-(trifluoromethyl)phenyl)methanol

Downstream raw materials:

2-(4-chloro-3-trifluoromethyl-phenyl)-ethylamine

2-[4-chloro-3-(trifluoromethyl)phenyl]acetic acid

(+/-)-2,6-dichloro-α-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitrobenzene-acetonitrile

1-(4-chloro-3-(trifluoromethyl)phenyl)-3-hydroxy cyclobutanecarbonitrile