5-Cyanoindole Property

Melting point:

106-108 °C(lit.)

Boiling point:

249.72°C (rough estimate)

Density 

1.1777 (rough estimate)

refractive index 

1.6211 (estimate)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

Chloroform, Hexane, Methanol

pka

15.62±0.30(Predicted)

form 

Crystalline Powder

color 

White to slightly yellow

Water Solubility 

Soluble in chloroform, hexane and methanol. Insoluble in water.

Sensitive 

Air & Light Sensitive

BRN 

116738

InChIKey

YHYLDEVWYOFIJK-UHFFFAOYSA-N

CAS DataBase Reference

15861-24-2(CAS DataBase Reference)

Safety

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

26-36-22

RIDADR 

3276

WGK Germany 

3

RTECS 

NL5993120

F 

8-10

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29339990

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

P501Dispose of contents/container to..…

5-Cyanoindole Chemical Properties,Usage,Production

Chemical Properties

Off-White Crystalline Powder

Uses

• ;Reactant for parallel synthesis of dihydroisoquinolines via silver and L-proline co-catalyzed three-component coupling reaction1• ;Reactant for chemoselective and regioselective preparation of benzoyl indoles2• ;Reactant for preparation of novel PPARα/γ dual agonists for potential treatment of metabolic syndrome and IDDM3• ;Reactant for preparation of 4,5-dihydrocyclopenta[c]quinolines by palladium-catalyzed ring-expansion reaction alkynes, using O2 as the oxidant4• ;Reactant for preparation of vinylindoles by hydroarylation of alkynes using indium bromi

Uses

Inhibitor of enzyme.

Uses

Reactant used for parallel synthesis of dihydroisoquinolines via silver and L-proline co-catalyzed three-component coupling reaction, preparation of novel PPARα/γ dual agonists for potential treatment of metabolic syndrome and IDDM, chemo selective and regioselective preparation of benzoyl indoles, 4,5-dihydrocyclopenta[c]quinolines by palladium-catalyzed ring-expansion reaction alkynes, using O2 as the oxidant and vinylindoles by hydroarylation of alkynes using indium bromide catalyst.

Purification Methods

Dissolve the nitrile in 95% EtOH, boil it in the presence of charcoal, filter, evaporate to a small volume and add enough H2O to cause crystallisation and cool. Recrystallise it directly from aqueous EtOH and dry it in a vacuum. UV has at max 276 nm (log 3.6) in MeOH. [Lindwall & Mantell J Org Chem 18 345 1953, 20 1458 1955, Thesing at al. Chem Ber 95 2205 1962, NMR: Lallemend & Bernath Bull Soc Chim Fr 4091 1970, Beilstein 22/3 V 45.]