4-(Trifluoromethoxy)aniline

Base Information Edit

Chemical Name:4-(Trifluoromethoxy)aniline
CAS No.:461-82-5
Molecular Formula:C7H6F3NO
Molecular Weight:177.126
Hs Code.:29222900
European Community (EC) Number:207-317-5
UNII:P40L42CVF6
DSSTox Substance ID:DTXSID70196722
Nikkaji Number:J196.180B
Wikidata:Q27286099
Mol file:461-82-5.mol

Synonyms:4-(trifluoromethoxy)aniline;4-TFMeA;4-trifluoromethoxyaniline

Suppliers and Price of 4-(Trifluoromethoxy)aniline

Supply Marketing:Edit

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-(Trifluoromethoxy)aniline
250g
$ 365.00

TCI Chemical
4-(Trifluoromethoxy)aniline >98.0%(GC)(T)
5g
$ 18.00

TCI Chemical
4-(Trifluoromethoxy)aniline >98.0%(GC)(T)
25g
$ 50.00

SynQuest Laboratories
4-(Trifluoromethoxy)aniline 98%
500 g
$ 225.00

SynQuest Laboratories
4-(Trifluoromethoxy)aniline 98%
100 g
$ 75.00

SynQuest Laboratories
4-(Trifluoromethoxy)aniline 98%
25 g
$ 35.00

Sigma-Aldrich
4-(Trifluoromethoxy)aniline 98%
5g
$ 26.30

Sigma-Aldrich
4-(Trifluoromethoxy)aniline 98%
25g
$ 95.60

Sigma-Aldrich
Riluzole Related Compound A United States Pharmacopeia (USP) Reference Standard
25mg
$ 1160.00

Oakwood
4-(Trifluoromethoxy)aniline 98%
100g
$ 130.00

Total 171 raw suppliers

Chemical Property of 4-(Trifluoromethoxy)aniline Edit

Chemical Property:

Appearance/Colour:Clear yellow liquid
Vapor Pressure:2.97mmHg at 25°C
Refractive Index:1.4630
Boiling Point:192.4 °C at 760 mmHg
PKA:3.75±0.10(Predicted)
Flash Point:80.6 °C
PSA：35.25000
Density:1.34 g/cm³
LogP:2.74860
Storage Temp.:Store below +30°C.
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:177.04014830
Heavy Atom Count:12
Complexity:140

Purity/Quality:

≥99% ^*data from raw suppliers

4-(Trifluoromethoxy)aniline ^*data from reagent suppliers

Safty Information:

Pictogram(s): T, Xi, Xn
Hazard Codes:T,Xi,Xn
Statements: 24/25-33-38-41-36/37/38-20/21/22
Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC=C1N)OC(F)(F)F
Uses 4-(Trifluoromethoxy)aniline was used in the synthesis of:side-group liquid-crystalline polymethacrylates with fluorine-containing mesogensderivatives of 3-(quinolin-3-yl)acrylatesseries of novel Shiff bases, via condensation with pyridinecarboxaldehydes in the presence of molecular sieves 4-(Trifluoromethoxy)aniline is used in the synthesis of anticancer agents and antitumor medicaments. Also, its an intermediate in the production of labelled Riluzole, a neuroprotective agent. Modulates glutamatergic transmission. A glutamate release inhibitor. An anticonvulsant.

Technology Process of 4-(Trifluoromethoxy)aniline

There total 19 articles about 4-(Trifluoromethoxy)aniline 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: 98.2%

: 456-55-3
1-trifluoromethoxybenzene

: 461-82-5
4-(trifluoromethoxy)aniline

Guidance literature:: 1-trifluoromethoxybenzene; With sodium ferrate(VI); sodium bromide; In dimethyl sulfoxide; at 95 ℃; for 4h; Inert atmosphere;

With sodium amide; In dimethyl sulfoxide; at 155 ℃; for 10h; under 3040.2 Torr; Solvent; Temperature; Reagent/catalyst; Pressure; Inert atmosphere;

Reference yield: 92.0%

: 713-65-5
4-nitrophenyl trifluoromethyl ether

: 461-82-5
4-(trifluoromethoxy)aniline

Guidance literature:: With C₃₆H₅₆Cl₃CrN₂O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere;
DOI:10.1021/jacs.0c12318