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5-Chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxylic acid

CAS 1548482-40-1Formula C13H12ClNO2MW 249.69PubChem 74767739

A chlorinated indole derivative featuring a 1-methylcyclopropyl group, primarily used as a research chemical and building block in synthetic organic chemistry.

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InChIKey: NPRUEDQAAGQBOM-UHFFFAOYSA-NC13H12ClNO2 | MW 249.69

Chemical Identity

Molecular Formula

C13H12ClNO2

Molecular Weight

249.69 g/mol

Exact Mass

249.055656

PubChem CID

74767739

SMILES String

CC1(c2c(C(=O)O)[nH]c3ccc(Cl)cc23)CC1

Names & Synonyms

5-Chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxylicacid

Catalog Overview

5-Chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxylic acid (CAS 1548482-40-1) is an organic compound characterized by its indole core, substituted with a chlorine atom at position 5, a 1-methylcyclopropyl group at position 3, and a carboxylic acid group at position 2. With a molecular formula of C13H12ClNO2 and a molecular weight of 249.69 g/mol, this compound is classified within the heterocycle building blocks family. It serves as a versatile intermediate in the synthesis of more complex chemical structures, particularly in medicinal chemistry and materials science research, where its indole scaffold and functional groups can...

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Read more catalog context

5-Chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxylic acid (CAS 1548482-40-1) is an organic compound characterized by its indole core, substituted with a chlorine atom at position 5, a 1-methylcyclopropyl group at position 3, and a carboxylic acid group at position 2. With a molecular formula of C13H12ClNO2 and a molecular weight of 249.69 g/mol, this compound is classified within the heterocycle building blocks family. It serves as a versatile intermediate in the synthesis of more complex chemical structures, particularly in medicinal chemistry and materials science research, where its indole scaffold and functional groups can be leveraged for further derivatization.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

200.0 °C

Boiling Point

380.0 °C

Density

1.4 g/cm³

Water Solubility

Sparingly soluble

Flash Point

350.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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