Ethyl 1H-indole-3-carboxylate

Basic Information

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CAS Number

776-41-0

Molecular Formula

C11H11NO2

Molecular Weight

189.21 g/mol

Basic Physical Properties

Melting Point

120-124 °C

Boiling Point

342.4℃ at 760 mmHg

Density

1.21 g/cm3

Flash Point

160.9 °C

Refractive Index

1.62

SMILES

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CCOC(=O)C1=CNC2=CC=CC=C21

InChI

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

InChIKey

XOUHVMVYFOXTMN-UHFFFAOYSA-N

LogP

2.3446000000000007

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

Sensitiveness

Sensitive to light

Synonyms & References

English

CHEMBL4855970
MFCD00228454
3-Indolecarboxylicacidethylester
A839151
776-41-0
3-(Ethoxycarbonyl)indole
Ethyl indole-3-carboxylate
Ethyl indole-3-carboxylate, 96%
1H-Indole-3-carboxylic acid, ethyl ester
FT-0601081
UEW9VF3T3M
BCP13136
NSC63796
XOUHVMVYFOXTMN-UHFFFAOYSA-N
SY037991
NSC 63796
DS-16456
DTXSID70289769
ethyl_indole_3_carboxylic_acid
CS-W015944
AN-068/14539028
NCIOpen2_000288
NSC-63796
I-2430
Ethyl indole-3-carboxylate, European Pharmacopoeia (EP) Reference Standard
SCHEMBL730525
Indole-3-carboxylic acid ethyl ester
E0955
ethyl 1H-indole-3-carboxylate
1H-indole-3-carboxylic acid ethyl ester
AKOS015854534

MDL Number

MFCD00228454

FAQ

What is Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0)?

Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0) is an organic compound with the molecular formula C10H11NO2. It is a derivative of indole with an ethyl substituent. This compound is characterized by its aromatic ring and carboxyl group, making it useful in various chemical and pharmaceutical applications.

What are the main uses of Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0)?

Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0) is primarily used in the synthesis of various indole derivatives, which are important in pharmaceuticals, agrochemicals, and flavoring agents. It serves as a building block in organic synthesis and is also used in research for studying indole chemistry.

Is Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0) safe?

Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0) is generally considered safe when handled with appropriate precautions. However, it should be handled in a well-ventilated area to avoid inhalation of dust. Protective gloves and eyewear are recommended to prevent skin and eye contact. Storage should be in a sealed container to prevent moisture and light exposure.

How should Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0) be stored?

Ethyl 1H-indole-3-carboxylate (CAS: 776-41-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be maintained below 25°C (77°F) to ensure stability and prevent degradation.