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5-(Trifluoromethyl)indole

Product Name
5-(Trifluoromethyl)indole
CAS No.
100846-24-0
Chemical Name
5-(Trifluoromethyl)indole
Synonyms
5-(TRIFLUOROMETHYL)INDOLE;5-(Trifluoromethyl)indole 97%;5-(Trifluoromethyl)-1H-indole;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
Formula Weight
185.15
MOL File
100846-24-0.mol
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5-(Trifluoromethyl)indole Property

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
InChIKey
LCFDJWUYKUPBJM-UHFFFAOYSA-N
CAS DataBase Reference
100846-24-0(CAS DataBase Reference)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H300Fatal if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
701068
Product name
5-(Trifluoromethyl)indole
Purity
97%
Packaging
250mg
Price
$92.45
Updated
2025/07/31
TRC
Product number
T896898
Product name
5-(Trifluoromethyl)indole
Packaging
100mg
Price
$90
Updated
2021/12/16
Matrix Scientific
Product number
024652
Product name
5-(Trifluoromethyl)indole
Purity
98%
Packaging
250mg
Price
$94
Updated
2021/12/16
SynQuest Laboratories
Product number
3H31-3-08
Product name
5-(Trifluoromethyl)-1H-indole
Packaging
250mg
Price
$110
Updated
2021/12/16
Matrix Scientific
Product number
024652
Product name
5-(Trifluoromethyl)indole
Purity
98%
Packaging
1g
Price
$128
Updated
2021/12/16
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5-(Trifluoromethyl)indole Chemical Properties,Usage,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

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

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5-(Trifluoromethyl)indole Suppliers

China 143 Europe 2 Germany 4 India 3 Japan 1 Switzerland 1 United Kingdom 9 United States 25 Global 188
NovoChemy Ltd.
Tel
021-31261262/ 49 (0)17662837245
Fax
(0)21-33250524
Email
sales@novochemy.com
Country
Germany
ProdList
6328
Advantage
58
Synchem OHG
Tel
+49 5662 408730
Fax
+49 5662 4087320
Email
info@synchem.de
Country
Germany
ProdList
4705
Advantage
70
PARAGOS
Tel
--
Fax
--
Email
info@paragos.com
Country
Germany
ProdList
6371
Advantage
39
Service Chemical Inc.
Tel
--
Fax
--
Email
sales@chemos-group.com
Country
Germany
ProdList
6350
Advantage
71
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View Lastest Price from 5-(Trifluoromethyl)indole manufacturers

Career Henan Chemical Co
Product
5-(Trifluoromethyl)indole 100846-24-0
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
200kg
Release date
2019-08-29

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