4-Chloro-3-(trifluoromethyl)benzonitrile

Base Information

Chemical Name:4-Chloro-3-(trifluoromethyl)benzonitrile
CAS No.:1735-54-2
Molecular Formula:C8H3ClF3N
Molecular Weight:205.567
Hs Code.:2926909090
European Community (EC) Number:671-867-6
DSSTox Substance ID:DTXSID20371385
Nikkaji Number:J1.675.705E
Wikidata:Q72511856
Mol file:1735-54-2.mol

Synonyms:4-Chloro-3-(trifluoromethyl)benzonitrile;1735-54-2;4-Chloro-3-trifluoromethylbenzonitrile;2-Chloro-5-cyanobenzotrifluoride;3-trifluoromethyl-4-chlorobenzonitrile;Benzonitrile, 4-chloro-3-(trifluoromethyl)-;MFCD00190117;SCHEMBL628094;DTXSID20371385;CK2147;AKOS005254281;AM61380;CS-W015359;PS-8094;4-chloro-3-trifluoromethyl-benzonitrile;3-(Trifluoromethyl)-4-chlorobenzonitrile;AC-26125;SY018295;4-chloro-3-(trifluoromethyl)-benzonitrile;C2246;FT-0611815;4-Chloro-3-(trifluoromethyl)benzonitrile, AldrichCPR

Suppliers and Price of 4-Chloro-3-(trifluoromethyl)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-Chloro-3-(trifluoromethyl)benzonitrile
5g
$ 60.00

TCI Chemical
4-Chloro-3-(trifluoromethyl)benzonitrile >98.0%(GC)
25g
$ 184.00

TCI Chemical
4-Chloro-3-(trifluoromethyl)benzonitrile >98.0%(GC)
5g
$ 63.00

SynQuest Laboratories
2-Chloro-5-cyanobenzotrifluoride 98%
100 g
$ 348.00

SynQuest Laboratories
2-Chloro-5-cyanobenzotrifluoride 98%
25 g
$ 116.00

SynQuest Laboratories
2-Chloro-5-cyanobenzotrifluoride 98%
5 g
$ 29.00

Matrix Scientific
2-Chloro-5-cyanobenzotrifluoride
5g
$ 17.00

Matrix Scientific
2-Chloro-5-cyanobenzotrifluoride
25g
$ 58.00

Crysdot
4-Chloro-3-(trifluoromethyl)benzonitrile 97%
100g
$ 119.00

CHESS?
SG000119:4-Chloro-3-trifluoromethyl-benzonitrile 98
1 g
$ 96.00

Total 55 raw suppliers

Chemical Property of 4-Chloro-3-(trifluoromethyl)benzonitrile

Chemical Property:

Vapor Pressure:0.0798mmHg at 25°C
Melting Point:66-68 °C
Refractive Index:1.484
Boiling Point:226.9 °C at 760 mmHg
Flash Point:91 °C
PSA：23.79000
Density:1.43 g/cm³
LogP:3.23048
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:soluble in Methanol
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:204.9906113
Heavy Atom Count:13
Complexity:229

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

Pictogram(s): T
Hazard Codes:T,Xn
Statements: 20/21/22-36/37/38-36-22
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)C(F)(F)F)Cl

Technology Process of 4-Chloro-3-(trifluoromethyl)benzonitrile

There total 6 articles about 4-Chloro-3-(trifluoromethyl)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:

: 623-03-0
4-Cyanochlorobenzene

: 76-05-1
trifluoroacetic acid

: 1735-54-2
4-chloro-3-(trifluoromethyl)benzonitrile

: 320-41-2
4-chloro-2-(trifluoromethyl)benzonitrile

Guidance literature:: With dipotassium peroxodisulfate; sulfuric acid; sodium carbonate; silver carbonate; In dichloromethane; at 120 ℃; for 10h; Overall yield = 48 %Spectr.; Schlenk technique; Sealed tube;
DOI:10.1021/ol503189j

Reference yield:

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

: 1735-54-2
4-chloro-3-(trifluoromethyl)benzonitrile

Guidance literature:: With potassium tetracyanocuprate (I); at 90 ℃;

Reference yield:

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

: 1735-54-2
4-chloro-3-(trifluoromethyl)benzonitrile

Guidance literature:: With hydrogenchloride; sodium hydrogencarbonate; sodium nitrite; Yield given. Multistep reaction; 2.) 0 deg C, 1 h;
DOI:10.1080/00397919608003525