Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate

Basic Information

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CAS Number

93957-39-2

Molecular Formula

C17H14FNO2

Molecular Weight

283.3 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

131.5-132.0 ºC

Boiling Point

474°Cat760mmHg

Density

1.254±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

240.5°C

Refractive Index

1.622

SMILES

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CCOC(=O)C1=C(C2=CC=CC=C2N1)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FNO2/c1-2-21-17(20)16-15(11-7-9-12(18)10-8-11)13-5-3-4-6-14(13)19-16/h3-10,19H,2H2,1H3

InChIKey

CUQXATKVGLSICQ-UHFFFAOYSA-N

LogP

4.150700000000002

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

368

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Q-102933
ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate;3-(4'-FLUOROPHENYL)INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester
SCHEMBL7679486
FT-0648783
ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate
MFCD00798195
Ethyl3-(4-fluorophenyl)-1H-indole-2-carboxylate
3-(4'-fluorophenyl)indole-2-carboxylate
CS-0172296
MS-1809
CUQXATKVGLSICQ-UHFFFAOYSA-N
AKOS005107905
DTXSID00408648
ethyl 3-(4'-fluorophenyl)indole-2-carboxylate
3-(4-fluoro-phenyl)-1h-indole-2-carboxylic acid ethyl ester
93957-39-2
Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate
1H-Indole-2-carboxylicacid, 3-(4-fluorophenyl)-, ethyl ester
3-(4'-Fluorophenyl)indole-2-carboxylic acid ethylester

MDL Number

MFCD00798195

FAQ

What is Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2)?

Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2) is an organic compound with a molecular structure that includes an indole ring and a fluoro-substituted phenyl group. It is a colorless oil that is used in pharmaceuticals and research.

What are the main uses of Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2)?

Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2) is primarily used as an intermediate in the synthesis of pharmaceutical compounds. It is also used in research for drug discovery and development.

Is Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2) safe?

Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2) is generally safe when handled with appropriate precautions. However, it is recommended to use gloves and protective eyewear. Avoid contact with eyes and skin, and ensure proper ventilation.

How should Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2) be stored?

Ethyl 3-(4-fluorophenyl)-1H-indole-2-carboxylate (CAS: 93957-39-2) should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent degradation. Store at room temperature, ideally between 15°C and 25°C.