3-Cyanoindole , 98% , 5457-28-3

Synonym(s):
3-Indolecarbonitrile;NSC 24935

CAS NO.：5457-28-3

Empirical Formula: C9H6N2

Molecular Weight: 142.16

MDL number: MFCD00022717

EINECS: 212-232-1

PRODUCT Properties

• Melting point: 179-182 °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,Sealed in dry,Room Temperature
• solubility: Chloroform (Slightly), Methanol (Slightly)
• form: Solid
• pka: 14.61±0.30(Predicted)
• color: Orange to Brown
• Water Solubility: Insoluble in water.
• Sensitive: Air & Light Sensitive
• BRN: 120888
• InChI: InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
• InChIKey: CHIFTAQVXHNVRW-UHFFFAOYSA-N
• SMILES: N1C2=C(C=CC=C2)C(C#N)=C1
• CAS DataBase Reference: 5457-28-3(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Indolecarbonitrile(5457-28-3)

Description and Uses

Reactant for preparation of:

• Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
• Inhibitors of the C-terminal domain of RNA polymerase II with antitumor activities
• 4-substituted β-lactams
• Biologically active Indoles
• Inhibitors of glycogen synthase kinase 3β (GSK-3)
• HIV-1 integrase inhibitors
• Indole fragments as inosine monophosphate dehydrogenase (IMPDH) inhibitors
• Aziridinomitosene skeleton
• Potential antiviral agents

Reactant for:

• Intramolecular oxidative C-H coupling reactions with applications in medium-ring synthesis techniques

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H312-H315-H319-H332-H335
• Precautionary statements: P261-P280-P305+P351+P338-P280a-P304+P340-P405-P501a
• Hazard Codes: Xn
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39-36/37/39
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29339900