2-(trifluoromethyl)-1H-indole

Base Information

Chemical Name:2-(trifluoromethyl)-1H-indole
CAS No.:51310-54-4
Molecular Formula:C9H6F3N
Molecular Weight:185.149
Hs Code.:2933990090
European Community (EC) Number:803-765-6
DSSTox Substance ID:DTXSID60448762
Nikkaji Number:J703.441E
Wikidata:Q72512034
Mol file:51310-54-4.mol

Synonyms:2-(trifluoromethyl)-1H-indole;51310-54-4;2-TRIFLUOROMETHYLINDOLE;2-Trifluoromethyl-1H-indole;1H-Indole, 2-(trifluoromethyl)-;MFCD04972104;2-(Trifluoromethyl)indole;SCHEMBL30145;2-trifluoromethyl-(1H)-indole;2-(trifluoromethyl)-1 H-Indole;DTXSID60448762;2-(Trifluoromethyl)indole, 97%;BBL103694;STL557504;AKOS005256037;CS-W016961;AC-22694;DS-14011;FT-0681653;EN300-245533;T-6385;A871313

Suppliers and Price of 2-(trifluoromethyl)-1H-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
2-(trifluoromethyl)-1H-indole
50mg
$ 45.00

SynQuest Laboratories
2-(Trifluoromethyl)-1H-indole 97%
1 g
$ 184.00

SynQuest Laboratories
2-(Trifluoromethyl)-1H-indole 97%
250 mg
$ 80.00

Sigma-Aldrich
2-(Trifluoromethyl)indole 97%
500mg
$ 135.00

Matrix Scientific
2-(Trifluoromethyl)-1H-indole 95%
500mg
$ 149.00

Labseeker
2-TRIFLUOROMETHYLINDOLE 95
5g
$ 1362.00

Crysdot
2-(Trifluoromethyl)-1H-indole 98%
1g
$ 150.00

Chemenu
2-(Trifluoromethyl)-1H-indole 95%+
1g
$ 206.00

Chemenu
2-(Trifluoromethyl)-1H-indole 95%+
5g
$ 659.00

Apolloscientific
2-(Trifluoromethyl)-1H-indole 97%
1g
$ 115.00

Total 44 raw suppliers

Chemical Property of 2-(trifluoromethyl)-1H-indole

Chemical Property:

Vapor Pressure:0.024mmHg at 25°C
Melting Point:106-110°C
Refractive Index:1.556
Boiling Point:256.676 °C at 760 mmHg
PKA:14.62±0.30(Predicted)
Flash Point:109.034 °C
PSA：15.79000
Density:1.368 g/cm³
LogP:3.18670
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:3
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

2-(trifluoromethyl)-1H-indole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=C(N2)C(F)(F)F

Technology Process of 2-(trifluoromethyl)-1H-indole

There total 11 articles about 2-(trifluoromethyl)-1H-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: 48.0%

: (Z)-2,2,2-trifluoro-N-(o-tolyl)acetimidoyl chloride

: 3396-11-0
cesium acetate

: 51310-54-4
2-(trifluoromethyl)indole

: 3026-99-1
N-acetyl-N-(o-tolyl)acetamide

Guidance literature:: With bis(dibenzylideneacetone)-palladium⁽⁰⁾; 1,3-bis(2,6-diisopropylphenyl)dihydroimidazol-2-ylidene; In toluene; at 110 ℃; for 12h; Reagent/catalyst; Glovebox; Inert atmosphere;
DOI:10.1021/acs.orglett.6b00795

Reference yield: 32.0%

: 120-72-9
indole

: 1961266-44-3
2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate

: 51310-54-4
2-(trifluoromethyl)indole

: 51310-55-5
3-(trifluoromethyl)-1H-indole

Guidance literature:: With [(Tp)Ni^IV(CF₃)₃]; In dimethyl sulfoxide; at 25 ℃; for 24h; Inert atmosphere; Sealed tube; Glovebox;
DOI:10.1021/jacs.9b06383