methyl 4,6-dimethoxy-1H-indole-2-carboxylate

Base Information

• Chemical Name: methyl 4,6-dimethoxy-1H-indole-2-carboxylate
• CAS No.: 105776-13-4
• Molecular Formula: C₁₂H₁₃NO₄
• Molecular Weight: 235.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90350026
• Nikkaji Number: J2.099.981K
• Wikidata: Q82125720
• Mol file: 105776-13-4.mol

Synonyms:105776-13-4;methyl 4,6-dimethoxy-1H-indole-2-carboxylate;Methyl 4,6-dimethoxy-2-indolecarboxylate;Methyl-4,6-dimethoxyindole-2-carboxylate;methyl 4,6-dimethoxyindole-2-carboxylate;4,6-Dimethoxy-1H-indole-2-carboxylic acid methyl ester;Oprea1_770065;SCHEMBL6223883;DTXSID90350026;BBL028257;MFCD00134302;STK801882;AKOS001476663;MB00728;AS-43603;FT-0642607;EN300-320969;4,6-dimethoxy-3-methyl-1H-indole-2-carboxylate;Methyl 4,6-dimethoxy-2-indolecarboxylate, 99%;A801316;Z425372918

Chemical Property of methyl 4,6-dimethoxy-1H-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 5.83E-07mmHg at 25°C
• Melting Point: 182-183 °C(lit.)
• Refractive Index: 1.593
• Boiling Point: 410.9 °C at 760 mmHg
• Flash Point: 202.3 °C
• PSA: 60.55000
• Density: 1.252 g/cm³
• LogP: 1.97170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 4,6-dimethoxy-2-indolecarboxylate 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C(N2)C(=O)OC)C(=C1)OC
• Uses: Methyl 4,6-dimethoxy-2-indolecarboxylate may be used as reactant:in the nitration reactions with nitric acid in the preparation of light-dependent tumor necrosis factor-α inhibitors