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Indole-3-carbonitrile, 98%

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

$80.49 - $268.33

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
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AAA1604103
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Thermo Scientific Chemicals
A1604103
1 g
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AAA1604106
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Thermo Scientific Chemicals
A1604106
5 g
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Description

Description

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

5457-28-3
142.16
CHIFTAQVXHNVRW-UHFFFAOYSA-N
230282
N#CC1=CNC2=CC=CC=C12
C9H6N2
MFCD00022717
3-cyanoindole, indole-3-carbonitrile, 3-indolecarbonitrile, chembl46724, zlchem 360, 3-cyano-1h-indole, pubchem7325, acmc-209lhi, 1h-indol-3-yl cyanide
1H-indole-3-carbonitrile

Specifications

5457-28-3
Odorless
MFCD00022717
120888
3-cyanoindole, indole-3-carbonitrile, 3-indolecarbonitrile, chembl46724, zlchem 360, 3-cyano-1h-indole, pubchem7325, acmc-209lhi, 1h-indol-3-yl cyanide
CHIFTAQVXHNVRW-UHFFFAOYSA-N
1H-indole-3-carbonitrile
230282
98%
177°C to 182°C
C9H6N2
1 g
Light sensitive
Insoluble in water.
N#CC1=CNC2=CC=CC=C12
142.16
142.16
Indole-3-carbonitrile
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Safety and Handling

Safety and Handling

GHS H Statement
H302-H315-H319-H335
Harmful if swallowed.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c

H302+H312+H332-H315-H319-H335

DOTInformation : Hazard Class: 6.1; Packaging Group: III

EINECSNumber : 000-000-0

TSCA : No

Recommended Storage : Ambient temperatures

SDS
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RUO – Research Use Only