701327

3-Formyl-1H-indole-5-carbonitrile

97%

• Synonym(s): 3-Formyl-5-cyano-1H-indole, 5-Cyanoindole-3-carboxaldehyde
• Empirical Formula (Hill Notation): C₁₀H₆N₂O
• CAS Number: 17380-18-6
• Molecular Weight: 170.17
• MDL number: MFCD01719101
• UNSPSC Code: 12352100
• PubChem Substance ID: 329762282
• NACRES: NA.22

Properties

• assay: 97%
• form: powder
• mp: 248-253 °C
• functional group: aldehyde; nitrile
• SMILES string: O=Cc1c[nH]c2ccc(cc12)C#N
• InChI: 1S/C10H6N2O/c11-4-7-1-2-10-9(3-7)8(6-13)5-12-10/h1-3,5-6,12H
• InChI key: NVBCFOQYDFKXJJ-UHFFFAOYSA-N

Description

Application

• Reactant for synthesis of tryptophan dioxygenase inhibitors as potential anticancer immunomodulators
• Reactant for enantioselective preparation of antifungal agents
• Reactant for synthesis of indole- and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1
• Reactant for preparation of indolyl alkenes from microwave-enhanced Knoevenagel condensation as antibacterial agents
• Reactant for preparation of indolecarboxamide derivatives as antitumor agents
• Reactant for synthesis of a selective serotonin reuptake inhibitor

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H317,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves