3-(4-Fluorophenyl)-1H-indole

Basic Information

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CAS Number

101125-32-0

Molecular Formula

C14H10FN

Molecular Weight

211.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Boiling Point

390.5°C at 760 mmHg

SMILES

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C1=CC=C2C(=C1)C(=CN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H10FN/c15-11-7-5-10(6-8-11)13-9-16-14-4-2-1-3-12(13)14/h1-9,16H

InChIKey

JFVIPMRWCFOHBG-UHFFFAOYSA-N

LogP

3.974000000000002

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

235

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

3-(4-fluorophenyl)-1h-indole
AMY7290
BDBM50598626
CS-0060576
Q-101961
3-(4-Fluoro-phenyl)-1H-indole
A16254
DTXSID50541130
JFVIPMRWCFOHBG-UHFFFAOYSA-N
1H-Indole,3-(4-fluorophenyl)-
SY109610
101125-32-0
MFCD03840861
3-(4-fluorophenyl)indole
DS-3352
3-(4-Fluorophenyl)-indole
SCHEMBL1879218
AKOS015853447
1H-Indole, 3-(4-fluorophenyl)-
AC-6617
BCP07878
CHEMBL5178735
FT-0687248
3-(4-Fluorophenyl)-1H-indole
3-(4-FLUORO-PHENYL)-1H-INDOLE
3-(4-Fluoro-phenyl)-1H-indole hydrochloride
AK105269
3-(4'-Fluorophenyl)-1H-indole
TRA0051802
WT82472
AB0060554

MDL Number

MFCD03840861

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-(4-Fluorophenyl)-1H-indole (CAS: 101125-32-0)?

3-(4-Fluorophenyl)-1H-indole is a crystalline solid with a molecular weight of approximately 209.18 g/mol. It has a low solubility in water but is moderately soluble in organic solvents like ethanol and dimethylformamide. Chemically, it is relatively stable but can undergo electrophilic aromatic substitution reactions under certain conditions.

How is 3-(4-Fluorophenyl)-1H-indole (CAS: 101125-32-0) typically synthesized?

3-(4-Fluorophenyl)-1H-indole can be synthesized via a multistep process involving a Stille coupling reaction between 4-fluorophenylboronic acid and indole-3-boronic acid. The reaction is catalyzed by palladium(0) and typically yields high purity products with excellent selectivity and moderate to high yields.

What industries use 3-(4-Fluorophenyl)-1H-indole (CAS: 101125-32-0)?

3-(4-Fluorophenyl)-1H-indole is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drug candidates. It also has applications in the development of sensors and in materials science for its unique optical and electronic properties.

What precautions should be taken when handling 3-(4-Fluorophenyl)-1H-indole (CAS: 101125-32-0)?

When handling 3-(4-Fluorophenyl)-1H-indole, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a laboratory coat. Work should be performed in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate materials, and the material safety data sheet (MSDS) should be consulted for detailed safety information.