5-Iodo-1H-indole

Basic Information

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CAS Number

16066-91-4

Molecular Formula

C8H6IN

Molecular Weight

243.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

101-104 °C

Boiling Point

341.7°C at 760 mmHg

SMILES

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C1=CC2=C(C=CN2)C=C1I

InChI

InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

InChIKey

TVQLYTUWUQMGMP-UHFFFAOYSA-N

LogP

2.7725

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

126

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Sensitiveness

Light Sensitive

Synonyms & References

English

FT-0620505
5-Iodoindole
Maybridge1_006499
A3555
5-iodanyl-1H-indole
AB04939
5-Iodoindole, 97%
PS-7545
TVQLYTUWUQMGMP-UHFFFAOYSA-N
AMY2684
1H-Indole, 5-iodo-
MFCD00220065
AKOS015853662
16066-91-4
HMS559P09
CS-W004099
EN300-67041
SY030018
DTXSID60382031
5-iodo-1H-indole
I-7580
CCG-247892
SCHEMBL177313
A810167
5-Iodo-1H-indole
5-Indoindole
5-iodo indole
zlchem 1099
ZLD0567
STL557348
SBB054565

MDL Number

MFCD00220065

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Iodo-1H-indole (CAS: 16066-91-4)?

5-Iodo-1H-indole (CAS: 16066-91-4) is a crystalline compound with a molecular weight of approximately 247.02 g/mol. It has limited solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is relatively unreactive under normal conditions but can undergo nucleophilic substitution reactions, especially in the presence of strong bases or catalysts. Its stable crystalline form makes it suitable for various chemical applications.

How is 5-Iodo-1H-indole (CAS: 16066-91-4) typically synthesized?

5-Iodo-1H-indole (CAS: 16066-91-4) can be synthesized through the iodination of 1H-indole using reagents such as iodine and potassium iodide in the presence of a base like sodium hydroxide. The reaction is conducted in an organic solvent to enhance solubility and selectivity. This method provides a high yield of the target compound with good purity, making it a common approach in the laboratory and industry.

What industries use 5-Iodo-1H-indole (CAS: 16066-91-4)?

5-Iodo-1H-indole (CAS: 16066-91-4) is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds and as an intermediate in medicinal chemistry. It also finds applications in the sensor technology sector, particularly in the development of colorimetric and fluorometric sensors. Additionally, it may be used in the research and development of new materials and polymers.

What precautions should be taken when handling 5-Iodo-1H-indole (CAS: 16066-91-4)?

When handling 5-Iodo-1H-indole (CAS: 16066-91-4), it is essential to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and lab coats. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, they should be carefully cleaned up using absorbent materials, and the affected area should be flushed with water. Always refer to the safety data sheet (SDS) for specific handling instructions and emergency procedures.