645532

4-Cyanoindole

97%

• Synonym(s): Indole-4-carbonitrile
• Empirical Formula (Hill Notation): C₉H₆N₂
• CAS Number: 16136-52-0
• Molecular Weight: 142.16
• MDL number: MFCD00152045
• UNSPSC Code: 12352100
• PubChem Substance ID: 24883383
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• mp: 117-121 °C (lit.)
• functional group: nitrile
• SMILES string: N#Cc1cccc2[nH]ccc12
• InChI: 1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H
• InChI key: CEUFGDDOMXCXFW-UHFFFAOYSA-N

Description

Application

Reactant for preparation of tryptophan dioxygenase inhibitors as potential anticancer immunomodulators
Reactant for stereoselective preparation of γ-lactones via prolinol silyl ether catalyzed Friedel-Crafts alkylation reaction
Reactant for iridium-catalyzed borylation reactions
Reactant for parallel synthesis of N-benzylisatin oximes as JNK3 MAP kinase inhibitors
Reactant for preparation of N-aryl indoles
Reactant for preparation of conformationally restricted indole cyclopropylmethylamines as selective serotonin reuptake inhibitors

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302,H315,H317,H318,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves