Ethyl 1H-indole-2-carboxylate

Basic Information

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CAS Number

3770-50-1

Molecular Formula

C11H11NO2

Molecular Weight

189.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

120.0 to 125.0 deg-C

Boiling Point

342.4°C at 760 mmHg

Flash Point

160.9℃

Refractive Index

1.5012 (estimate)

SMILES

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CCOC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3

InChIKey

QQXQAEWRSVZPJM-UHFFFAOYSA-N

LogP

2.3446

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

WR9Y4AXI3Q
InChI=1/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H
CHEMBL84245
CCG-15076
SR-01000388934-2
3770-50-1
NSC-10076
Indole 2-carboxylic acid ethyl ester
1H-Indole-2-carboxylic acid, ethyl ester
STR07814
Ethyl 1H-indole-2-carboxylate
ETHYL 2-INDOLECARBOXYLATE
HMS1446C01
indol-2-carboxylic acid ethyl ester
CS-D1745
2-Ethoxycarbonylindole, NSC 10076
SR-01000388934-1
ethyl-2-indolecarboxylate
ICA-OEt
2-Carbethoxyindole
Indole-2-carboxylic acid ethyl ester
AF-966/00545036
AC-2541
ethyl-indole-2-carboxylate
BP-12099
CG-0521
ethyl-2-indole carboxylate
SB14859
ethyl 2-indole carboxylate
2-carboethoxyindole
ETHYLINDOLE-2-CARBOXYLATE

MDL Number

MFCD00005609

Customs Code

29339990

FAQ

What regulatory guidelines apply to Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1)?

Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for the European Union, and FDA/EPA requirements for safety, labeling, and environmental impact assessments. Companies must ensure compliance with these regulations when manufacturing, importing, or handling the compound.

Are there alternatives to Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1) in synthesis?

Yes, there are alternatives to Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1) in synthesis, such as other indole derivatives like benzyl 1H-indole-2-carboxylate or related analogs. Common alternative reagents include acetyl 1H-indole-2-carboxylate and methyl 1H-indole-2-carboxylate, which can serve similar purposes in different synthetic pathways.

What is the market or research trend for Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1)?

The market for Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1) is driven by its application in pharmaceuticals and agrochemicals. Research trends focus on its potential as a precursor for indole-containing compounds, which are valuable in drug discovery and crop protection. Emerging studies also explore its role in sustainable chemistry, highlighting its importance in developing eco-friendly chemical processes.

How should waste containing Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1) be handled?

Waste containing Ethyl 1H-indole-2-carboxylate (CAS: 3770-50-1) should be collected in appropriate containers and stored in a well-ventilated area away from heat sources. Incineration is a common disposal method, but professional waste disposal services are recommended for safety and compliance. Environmental protection measures should include proper containment to prevent soil and water contamination, and waste should be handled according to local and international environmental regulations.