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Indole-3-carbonitrile, 98%

Catalog No. p-7023020
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5 g
Catalog No. Quantity
AAA1604103 1 g
AAA1604106 5 g
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Catalog No. AAA1604103

Supplier: Thermo Scientific Chemicals A1604103

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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.

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

Specifications

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
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

RUO – Research Use Only