5-(Trifluoromethyl)indole

Base Information

Chemical Name:5-(Trifluoromethyl)indole
CAS No.:100846-24-0
Molecular Formula:C9H6F3N
Molecular Weight:185.149
Hs Code.:2933990090
European Community (EC) Number:634-474-0
DSSTox Substance ID:DTXSID30376720
Nikkaji Number:J1.198.319G
Wikidata:Q72512037
Mol file:100846-24-0.mol

Synonyms:5-(TRIFLUOROMETHYL)INDOLE;100846-24-0;5-(trifluoromethyl)-1H-indole;5-Trifluoromethylindole;1H-Indole, 5-(trifluoromethyl)-;5-trifluoromethyl indole;5-Trifluoromethyl-1H-indole;MFCD03095341;SCHEMBL438997;DTXSID30376720;5-(Trifluoromethyl)indole, 97%;AMY14429;BBL100428;STL554222;AKOS005254605;CS-W008231;FS-3578;SB15232;SY031828;FT-0601320;EN300-43994;A800281;J-000232;J-516447;Z445172364

Suppliers and Price of 5-(Trifluoromethyl)indole

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
5-(Trifluoromethyl)indole
100mg
$ 90.00

SynQuest Laboratories
5-(Trifluoromethyl)-1H-indole
1 g
$ 395.00

SynQuest Laboratories
5-(Trifluoromethyl)-1H-indole
250 mg
$ 110.00

Sigma-Aldrich
5-(Trifluoromethyl)indole 97%
250mg
$ 122.00

Matrix Scientific
5-(Trifluoromethyl)indole 98%
1g
$ 128.00

Matrix Scientific
5-(Trifluoromethyl)indole 98%
250mg
$ 94.00

Matrix Scientific
5-(Trifluoromethyl)indole 98%
5g
$ 382.00

Labseeker
5-(TRIFLUOROMETHYL)INDOLE 95
5g
$ 615.00

J&W Pharmlab
5-Trifluoromethyl-1H-indole 98%
1g
$ 140.00

J&W Pharmlab
5-Trifluoromethyl-1H-indole 98%
5g
$ 380.00

Total 69 raw suppliers

Chemical Property of 5-(Trifluoromethyl)indole

Chemical Property:

Appearance/Colour:Beige powder
Vapor Pressure:0.000105mmHg at 25°C
Melting Point:67-69 °C
Refractive Index:1.589
Boiling Point:256.7 °C at 760 mmHg
PKA:15.94±0.30(Predicted)
Flash Point:109 °C
PSA：15.79000
Density:1.367 g/cm³
LogP:3.18670
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
Sensitive.:Light Sensitive
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:185.04523368
Heavy Atom Count:13
Complexity:190

Purity/Quality:

99%, ^*data from raw suppliers

5-(Trifluoromethyl)indole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,T
Hazard Codes:Xi,T
Statements: 25-36/37/38
Safety Statements: 26-36/37-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=CN2)C=C1C(F)(F)F
Uses In 3-Naphthylindole construction by rhodium (II)-catalyzed regioselective direct arylation of indoles with 1-diazonaphthalen-2-(1H)-ones treatment of 5-(trifluoromethyl)indole(1k) or 6-(trifluoromethyl)indole (1l) with 2a afforded the desired products 3k (86%)and 3l (86%).

Technology Process of 5-(Trifluoromethyl)indole

There total 21 articles about 5-(Trifluoromethyl)indole 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: 99.0%

: 200711-18-8
2-(2-nitro-5-(trifluoromethyl)phenyl)acetonitrile

: 100846-24-0
5-trifluoromethyl-1H-indole

Guidance literature:: With hydrogen; In methanol; at 20 ℃; for 12h; under 760.051 Torr;
DOI:10.1002/adsc.201700374

Reference yield: 88.0%

: cyano-(2-nitro-5-trifluoromethyl-phenyl)-acetic acid benzyl ester

: 162100-55-2
5-(trifluoromethyl)indoline

: 100846-24-0
5-trifluoromethyl-1H-indole

: 2-(2-amino-ethyl)-4-trifluoromethyl-phenylamine

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; In ethanol; water; at 25 ℃; for 18h; under 2585.74 Torr;
DOI:10.1081/SCC-120021501