4-(Trichloromethyl)benzonitrile

Base Information

Chemical Name:4-(Trichloromethyl)benzonitrile
CAS No.:2179-45-5
Molecular Formula:C8H4Cl3N
Molecular Weight:220.485
Hs Code.:2926909090
European Community (EC) Number:862-243-6
NSC Number:142538
DSSTox Substance ID:DTXSID00301347
Nikkaji Number:J657.283I
Wikidata:Q82045122
Mol file:2179-45-5.mol

Synonyms:4-(trichloromethyl)benzonitrile;2179-45-5;4-TRICHLOROMETHYLBENZONITRILE;Benzonitrile,4-(trichloromethyl)-;NSC142538;p-cyanobenzotrichloride;SCHEMBL10524054;DTXSID00301347;KHBCTNHFESKSDC-UHFFFAOYSA-N;CAA17945;MFCD00087875;NSC-142538;FT-0619538;EN300-208951

Suppliers and Price of 4-(Trichloromethyl)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-(Trichloromethyl)benzonitrile
250mg
$ 85.00

AK Scientific
4-(Trichloromethyl)benzonitrile
500mg
$ 822.00

Total 14 raw suppliers

Chemical Property of 4-(Trichloromethyl)benzonitrile

Chemical Property:

Vapor Pressure:0.00089mmHg at 25°C
Melting Point:40-41 °C
Refractive Index:1.58
Boiling Point:304.1 °C at 760 mmHg
Flash Point:129.3 °C
PSA：23.79000
Density:1.45 g/cm³
LogP:3.38498
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:218.940932
Heavy Atom Count:12
Complexity:192

Purity/Quality:

99% ^*data from raw suppliers

4-(Trichloromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C(Cl)(Cl)Cl
Uses 4-(Trichloromethyl)benzonitrile, is a building block used in various chemical syntheis such as in preparation of Betrixaban (B329500), a novel anticoagulant, and an oral direct inhibitor of factor Xa (FXa) for use in the prevention of venous thromboembolism (VTE).

Technology Process of 4-(Trichloromethyl)benzonitrile

There total 3 articles about 4-(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: 100.0%