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
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)

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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
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

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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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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

100846-24-0, 5-(Trifluoromethyl)indoleRelated Search:

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5-TRIFLUOROMETHYL INDOLE ,98%

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5-(TRIFLUOROMETHYL)INDOLE

5-(Trifluoromethyl)indole 97%

Ethane,1-(2-bromoethoxy)-2-(5-methoxyethoxy)-

100846-24-0

C9H6F3N

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