578495

Methyl indole-6-carboxylate

97%

• Synonym(s): Indole-6-carboxylic acid methyl ester
• Empirical Formula (Hill Notation): C₁₀H₉NO₂
• CAS Number: 50820-65-0
• Molecular Weight: 175.18
• MDL number: MFCD00211063
• UNSPSC Code: 12352100
• PubChem Substance ID: 24880929
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• mp: 76-80 °C (lit.)
• functional group: ester
• SMILES string: COC(=O)c1ccc2cc[nH]c2c1
• InChI: 1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
• InChI key: AYYOZKHMSABVRP-UHFFFAOYSA-N

Description

Application

Reactant for preparation of:
Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
Inhibitor of botulinum neurotoxin
ITK inhibitors
Antibacterial agents
CB2 cannabinoid receptor ligands
Inhibitors of hepatitis C virus NS5B polymerase
Inhibitors with histamine H1-blocking activity

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves