100846-24-0

Basic information

• Product Name: 5-(Trifluoromethyl)indole
• Synonyms: 5-(TRIFLUOROMETHYL)INDOLE;1H-INDOLE, 5-(TRIFLU OROMETHYL)- (9CI);5-TRIFLUOROMETHYL INDOLE ,98%;5-(Trifluoromethyl)-1H-indole;1H-Indole,5-(trifluoroMethyl)-;5-(Trifluoromethyl)indole 97%
• CAS NO: 100846-24-0
• Molecular Formula: C₉H₆F₃N
• Molecular Weight: 185.15
• Product Categories: Indole/indoline/oxindole;Indole and Indoline;Indole;Indoles;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building BlocksHeterocyclic Building Blocks;New Products for Chemical Synthesis;Building Blocks;C7 to C10;C7 to C9;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks
• Mol File: 100846-24-0.mol

Chemical Properties

• Melting Point: 67-69°C
• Boiling Point: 256.7 °C at 760 mmHg
• Flash Point: 109 °C
• Appearance: Beige powder
• Density: 1.367 g/cm³
• Vapor Pressure: 0.000105mmHg at 25°C
• Refractive Index: 1.589
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 15.94±0.30(Predicted)
• Sensitive: Light Sensitive
• CAS DataBase Reference: 5-(Trifluoromethyl)indole(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(Trifluoromethyl)indole(100846-24-0)
• EPA Substance Registry System: 5-(Trifluoromethyl)indole(100846-24-0)

Safety Data

• Hazard Codes: Xi,T
• 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
• Hazardous Substances Data: 100846-24-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-(Trifluoromethyl)indole is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and properties make it a valuable building block for the development of new drugs with potential therapeutic applications.
Used in Chemical Synthesis:
In the field of chemical synthesis, 5-(Trifluoromethyl)indole is used as a starting material for the construction of more complex organic molecules. For example, it can be employed in the synthesis of 3-Naphthylindole through 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 resulted in the desired products 3k (86%) and 3l (86%), showcasing its utility in organic synthesis.

InChI:InChI=1/C8H7BrFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)

Upstream product

• 455-14-1 4-trifluoromethylphenylamine 
• 50790-32-4 N-[4-(trifluoromethyl)phenyl]methanesulfonamide 
• 1217302-64-1 N-[2-(3,3-dimethyl-3-silabut-1-ynyl)-4-(trifluoromethyl)phenyl]ethoxycarboxamide 
• 129946-88-9 Umemoto's reagent 
• 144104-59-6 1H-indole-5-boronic acid 
• 1217302-63-0 ethoxy-N-[2-iodo-4-(trifluoromethyl)phenyl]carboxamide 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 5192-03-0 5-amino-1H-indole 
• 402-54-0 p-nitrobenzotrifluoride 
• 200711-18-8 2-(2-nitro-5-(trifluoromethyl)phenyl)acetonitrile 
• 878133-02-9 2-ethynyl-4-(trifluoromethyl)aniline 
• 57946-63-1 4-amino-3-bromobenzotrifluoride 
• 162100-55-2 5-(trifluoromethyl)indoline 
• 163444-17-5 2-iodo-4-(trifluoromethyl)aniline 

Downstream Products

• 1375476-66-6 1-phenyl-2-(phenylimino)-2-(5-(trifluoromethyl)-1H-indol-3-yl)ethanone 
• 1375476-80-4 1-phenyl-2-(5-trifluoromethyl-1H-indol-3-yl)ethane-1,2-dione 
• 1312312-59-6 2-chloro-4-(5-trifluoromethylindol-1-yl)phenyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranoside 
• 1312312-60-9 2-chloro-4-(5-trifluoromethylindol-1-yl)phenyl α-D-mannopyranoside 
• 1272718-01-0 1-[[4-(1-methylethyl)phenyl]sulfonyl]-5-(trifluoromethyl)-1H-indole 
• 1272718-04-3 1-[[4-(1-methylethyl)phenyl]sulfonyl]-5-(trifluoromethyl)-1H-indole-2-boronic acid 
• 1272718-07-6 2-fluoro-4-[[1-[[4-(1-methylethyl)phenyl]sulfonyl]-5-(trifluoromethyl)-1H-indol-2-yl]methyl]benzoic acid, methyl ester 
• 1272718-08-7 2-fluoro-4-[[1-[[4-(1-methylethyl)phenyl]sulfonyl]-5-(trifluoromethyl)-1H-indol-2-yl]methyl]benzoic acid 
• 1404580-31-9 1-benzyl-5-(trifluoromethyl)-1H-indole 
• 1404580-79-5 1-benzyl-3,3-difluoro-5-(trifluoromethyl)indolin-2-one 
• 1420069-57-3 [1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-indol-3-yl]boronic acid 
• 1420069-58-4 N-ethyl-N-({2-[1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-yl}methyl)cyclopropanecarboxamide 
• 378802-40-5 2-(5-(trifluoromethyl)-1H-indol-3-yl)acetic acid 
• 468718-16-3 5-(trifluoromethyl)-1H-indole-3-carbaldehyde 

Relevant articles and documents

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