Indole-3-carbonitrile, 98%

Description

CAS: 5457-28-3 | C9H6N2 | 142.16 g/mol

Indole-3-carbonitrile is used as a synthesis reagent for preparation of 4-substituted β-lactams, biologically active indoles, inhibitors of glycogen synthase kinase 3β (GSK-3), indole fragments as inosine monophosphate dehydrogenase (IMPDH) inhibitors and HIV-1 integrase inhibitors. It is also used as a reactant for intramolecular oxidative C-H coupling reactions with applications in medium-ring synthesis techniques and for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators.

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
Indole-3-carbonitrile is used as a synthesis reagent for preparation of 4-substituted β-lactams, biologically active indoles, inhibitors of glycogen synthase kinase 3β (GSK-3), indole fragments as inosine monophosphate dehydrogenase (IMPDH) inhibitors and HIV-1 integrase inhibitors. It is also used as a reactant for intramolecular oxidative C-H coupling reactions with applications in medium-ring synthesis techniques and for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators.

Solubility
Insoluble in water.

Notes
Keep container tightly sealed. Store in cool, dry conditions in well sealed containers. Incompatible with oxidizing agents. It is sensitive to light.

Specifications

Chemical Identifiers

• CAS: 5457-28-3
• Molecular Formula: C9H6N2
• Molecular Weight (g/mol): 142.16
• MDL Number: MFCD00022717
• InChI Key: CHIFTAQVXHNVRW-UHFFFAOYSA-N
• Synonym: 3-cyanoindole, indole-3-carbonitrile, 3-indolecarbonitrile, chembl46724, zlchem 360, 3-cyano-1h-indole, pubchem7325, acmc-209lhi, 1h-indol-3-yl cyanide
• PubChem CID: 230282
• IUPAC Name: 1H-indole-3-carbonitrile
• SMILES: N#CC1=CNC2=CC=CC=C12

• Melting Point: 177°C to 182°C
• Odor: Odorless
• Quantity: 1 g
• Beilstein: 120888
• Sensitivity: Light sensitive
• Solubility Information: Insoluble in water.
• Formula Weight: 142.16
• Percent Purity: 98%
• Chemical Name or Material: Indole-3-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	000-000-0
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only