Methyl indole-3-carboxylate

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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

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

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