5-(Trifluoromethyl)indole
- CAS No.
- 100846-24-0
- Chemical Name:
- 5-(Trifluoromethyl)indole
- Synonyms
- 5-(Trifluoromethyl)-1H-indole;5-(TRIFLUOROMETHYL)INDOLE;5-(Trifluoromethyl)indole 97%;5-TRIFLUOROMETHYL INDOLE ,98%;1H-Indole,5-(trifluoroMethyl)-;1H-INDOLE, 5-(TRIFLU OROMETHYL)- (9CI);Ethane,1-(2-bromoethoxy)-2-(5-methoxyethoxy)-
- CBNumber:
- CB1363038
- Molecular Formula:
- C9H6F3N
- Molecular Weight:
- 185.15
- MDL Number:
- MFCD03095341
- MOL File:
- 100846-24-0.mol
- MSDS File:
- SDS
| Melting point | 67-70 °C |
|---|---|
| Boiling point | 256.7±35.0 °C(Predicted) |
| Density | 1.367±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| pka | 15.94±0.30(Predicted) |
| form | powder |
| color | Yellow |
| Sensitive | Light Sensitive |
| InChI | 1S/C9H6F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H |
| InChIKey | LCFDJWUYKUPBJM-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc2[nH]ccc2c1 |
| CAS DataBase Reference | 100846-24-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H300-H315-H319-H335 | |||||||||
| Precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges | |||||||||
| Hazard Codes | Xi,T | |||||||||
| Risk Statements | 25-36/37/38 | |||||||||
| Safety Statements | 26-36/37-45 | |||||||||
| RIDADR | UN 2811 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| PackingGroup | Ⅲ | |||||||||
| HS Code | 2933998090 | |||||||||
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
|||||||||
| Hazard Classifications | Acute Tox. 2 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
5-(Trifluoromethyl)indole price More Price(63)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 701068 | 5-(Trifluoromethyl)indole 97% | 100846-24-0 | 250mg | $124 | 2026-04-30 | Buy |
| AstaTech | 52744 | 5-(TRIFLUOROMETHYL)-1H-INDOLE 97% | 100846-24-0 | 1G | $39 | 2026-04-30 | Buy |
| AstaTech | 52744 | 5-(TRIFLUOROMETHYL)-1H-INDOLE 97% | 100846-24-0 | 5G | $128 | 2026-04-30 | Buy |
| AstaTech | 52744 | 5-(TRIFLUOROMETHYL)-1H-INDOLE 97% | 100846-24-0 | 25G | $495 | 2026-04-30 | Buy |
| Biosynth | J-000232 | 5-(Trifluoromethyl)indole | 100846-24-0 | 1g | $225.31 | 2026-06-04 | Buy |
5-(Trifluoromethyl)indole Chemical Properties, Uses, Production
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%).
Synthesis
![Carbamic acid, N-[4-(trifluoromethyl)-2-[2-(trimethylsilyl)ethynyl]phenyl]-, ethyl ester](/CAS/20210305/GIF/1217302-64-1.gif)
1217302-64-1
100846-24-0
Step 5 Synthesis of 5-(trifluoromethyl)indole To a 250 mL three-necked round-bottomed flask was added N-[2-(3,3-dimethyl-3-silyl-1-ynyl)-4-(trifluoromethyl)phenyl]ethoxycarboxamide (31.5 g, 0.1 mol), EtONa (32.5 g, 0.48 mol) and anhydrous ethanol (200 mL). The reaction mixture was heated to reflux and kept for 2 hours. After completion of the reaction, the mixture was concentrated under reduced pressure. The residue was purified by fast column chromatography on silica gel, using a petroleum ether solution of 25% ethyl acetate as eluent to give 14 g (77% yield) of the target product 5-(trifluoromethyl)indole. 1H NMR (300 MHz, DMSO-d6) δ: 8.36 (s, 1H), 7.96-7.94 (m, 1H), 7.46-7.44 (m, 2H), 7.32-7.30 (m, 1H), 6.66-6.64 (m, 1H).
References
[1] Patent: US2010/120741, 2010, A1. Location in patent: Page/Page column 92
[2] Patent: WO2011/112731, 2011, A2. Location in patent: Page/Page column 197-198
5-(Trifluoromethyl)indole Preparation Products And Raw materials
Raw materials
Preparation Products
5-(Trifluoromethyl)indole Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
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| ZhengZhou HuaWen Chemical Co.Ltd | 0370-2785118 17550508557 | 675141927@qq.com | China | 3201 | 55 |
View Latest Price from 5-(Trifluoromethyl)indole manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-08-30 | 5-(Trifluoromethyl)indole
100846-24-0
|
$1.00 | 1KG | 98% | 200kg | Career Henan Chemical Co |
-
- 5-(Trifluoromethyl)indole
100846-24-0
- $1.00
- 98%
- Career Henan Chemical Co
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