5-Cyanoindole , 99% , 15861-24-2

Synonym(s):
5-Cyanoindole

CAS NO.：15861-24-2

Empirical Formula: C9H6N2

Molecular Weight: 142.16

MDL number: MFCD00005669

EINECS: 239-986-4

PRODUCT Properties

• 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
• form: Crystalline Powder
• pka: 15.62±0.30(Predicted)
• color: White to slightly yellow
• Water Solubility: Soluble in chloroform, hexane and methanol. Insoluble in water.
• Sensitive: Air & Light Sensitive
• BRN: 116738
• InChI: InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
• InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N
• SMILES: N1C2=C(C=C(C#N)C=C2)C=C1
• CAS DataBase Reference: 15861-24-2(CAS DataBase Reference)

Description and 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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H302-H335
• Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280a-P304+P340-P305+P351+P338-P405-P501a
• 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