2-(Trichloromethyl)benzonitrile

Base Information

• Chemical Name: 2-(Trichloromethyl)benzonitrile
• CAS No.: 2635-68-9
• Molecular Formula: C8H4Cl3N
• Molecular Weight: 220.485
• Hs Code.: 2926909090
• NSC Number: 202048
• DSSTox Substance ID: DTXSID60308094
• Nikkaji Number: J657.282K
• Wikidata: Q82055780
• Mol file: 2635-68-9.mol

Synonyms:2-(trichloromethyl)benzonitrile;2635-68-9;Benzonitrile, 2-(trichloromethyl)-;2-trichloromethylbenzonitrile;NSC202048;SCHEMBL7567533;DTXSID60308094;GBKJYWAWSNXSIQ-UHFFFAOYSA-N;MFCD00218261;NSC-202048;FT-0613455

Chemical Property of 2-(Trichloromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.000577mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 311.1 °C at 760mmHg
• Flash Point: 134.1 °C
• PSA: 23.79000
• Density: 1.45 g/cm³
• LogP: 3.38498
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.940932
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

2-(TRICHLOROMETHYL)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Trichloromethyl)benzonitrile

There total 5 articles about 2-(Trichloromethyl)benzonitrile 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:

dichlorine monoxide + 2-Methylbenzonitrile (529-19-1) → 2-trichloromethyl-benzonitrile (2635-68-9)

Guidance literature:

In tetrachloromethane;

Reference yield:

2-Methylbenzonitrile (529-19-1) → 2-trichloromethyl-benzonitrile (2635-68-9)

Guidance literature:

With chlorine; at 150 - 185 ℃; Irradiation_.UV-Licht;

Reference yield:

2-dichloromethyl-benzonitrile (64148-19-2) → 2-trichloromethyl-benzonitrile (2635-68-9)

Guidance literature:

durch Chlorieren;

upstream raw materials:

2-Methylbenzonitrile

2-dichloromethyl-benzonitrile

chlorine

Downstream raw materials:

2-trifluoromethylbenzoic acid

2-(trifluoromethyl)benzenamine

2-(trifluoromethyl)benzamide

benzene-1,2-dicarboxylic acid