5-Fluoroindole Chemical Properties

Melting point:

45-48 °C (lit.)

Boiling point:

120 °C / 1mmHg

Density 

1.1203 (estimate)

Flash point:

>230 °F

storage temp. 

Keep in dark place,Inert atmosphere,2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

16.16±0.30(Predicted)

form 

Crystalline Powder

color 

Off-white

BRN 

112350

InChI

InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

InChIKey

ODFFPRGJZRXNHZ-UHFFFAOYSA-N

SMILES

N1C2=C(C=C(F)C=C2)C=C1

CAS DataBase Reference

399-52-0(CAS DataBase Reference)

NIST Chemistry Reference

1H-indole, 5-fluoro-(399-52-0)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

F 

10

HazardClass 

IRRITANT

HS Code 

29339900

MSDS

• Language:English Provider:5-Fluoro-1H-indole
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

5-Fluoroindole Usage And Synthesis

Chemical Properties

off-white crystalline powder

Uses

• ;Reactant for preparation of 5-HT6 receptor ligands1• ;Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators2• ;Reactant for preparation of antitumor agents3• ;Reactant for preparation of antibacterial agents4• ;Reactant for preparation of immunosuppressive agents5• ;Reactant for preparation of Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes6• ;Reactant for preparation of Myeloperoxidase Inhibitors7• ;Reactant fo

Uses

5-Fluoroindole is a reactant used in various syntheses. It was used in the synthesis of Spirotetrahydro β-Carbolines (Spiroindolones), which is a new class of potent and orally efficacious compounds for the treatment of malaria. 5-Fluoroindole was also a reactant in direct indole and pyrrole couplings to carbonyl compound in total synthesis of Acremoauxin A and Oxazinin 3.

Uses

• Reactant for preparation of 5-HT6 receptor ligands
• Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
• Reactant for preparation of antitumor agents
• Reactant for preparation of antibacterial agents
• Reactant for preparation of immunosuppressive agents
• Reactant for preparation of Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes
• Reactant for preparation of Myeloperoxidase Inhibitors
• Reactant for preparation of Potent Selective Serotonin Reuptake Inhibitors

Definition

ChEBI: An organofluorine compound that is the 5-fluoro derivative of indole.

5-Fluoroindole(399-52-0)Related Product Information

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• 5-Fluoroindole-2-One