Methyl indole-3-carboxylate

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0057
CAS
942-24-5
Product Name
Methyl indole-3-carboxylate
Structure

Product Details

Description
Methyl 3-indolecarboxylate isolated from the roots of Heracleum candicans.
Synonyms
methyl 1H-indole-3-carboxylate
IUPAC Name
methyl 1H-indole-3-carboxylate
Molecular Weight
175.18
Molecular Formula
C10H9NO2
Canonical SMILES
COC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKey
QXAUTQFAWKKNLM-UHFFFAOYSA-N
Boiling Point
331.7 °C at 760 mmHg
Melting Point
149-152°C (lit.)
Purity
99 %
Density
1.253 g/cm3
Solubility
DMSO (Slightly), Methanol (Slightly)
Appearance
Powder
Storage
Keep in dark place,Sealed in dry,Room Temperature
BRN
142023
Color
White
Form
Solid
Hazard Class
IRRITANT
Hazard Codes
Xi
HS Code
29339900
MDL
MFCD00189407
pKa
15.42±0.30(Predicted)
Refractive Index
1.5060 (estimate)
Risk Statements
36/37/38
Safety Statements
26-36-37/39
Uses
Methyl indole-3-carboxylate is a reagent in the preaparation of oncrasin-1 derivatives which is a novel inhibitor of the C-terminal domain of RNA polymerase II.
Water Solubility
Insoluble in water.
WGK Germany
3
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