Indole-5-carbonitrile, 98+%

Description

CAS: 15861-24-2 | C9H6N2 | 142.161 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

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

Notes
Light Sensitive, store in dark. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from oxidizing agent.

Specifications

Chemical Identifiers

• CAS: 15861-24-2
• Molecular Formula: C9H6N2
• Molecular Weight (g/mol): 142.161
• MDL Number: MFCD00005669
• InChI Key: YHYLDEVWYOFIJK-UHFFFAOYSA-N
• Synonym: 5-cyanoindole, indole-5-carbonitrile, 5-cyano indole, 5-cyano-1h-indole, indole-5-cyano, 5-indolecarbonitrile, 5-cyano-indole, indol-5-carbonitrile, indole, 5-cyano, pubchem7326
• PubChem CID: 27513
• IUPAC Name: 1H-indole-5-carbonitrile
• SMILES: C1=CC2=C(C=CN2)C=C1C#N

• Melting Point: 104°C to 108°C
• Odor: Odorless
• Quantity: 5 g
• Beilstein: 116738
• Sensitivity: Light sensitive
• Solubility Information: Soluble in chloroform,hexane and methanol. Insoluble in water.
• Formula Weight: 142.16
• Percent Purity: ≥98%
• Chemical Name or Material: Indole-5-carbonitrile

Safety and Handling

Hazard Category	H302+H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H302-H315-H319-H335 Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: III
EINECSNumber	239-986-4
RTECSNumber	NL5993120
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only