2-Chloro-1H-indole-3-carbaldehyde

Basic Information

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CAS Number

5059-30-3

Molecular Formula

C9H6ClNO

Molecular Weight

179.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

~ 212 °C(Dec)

Water Solubility

Slightly soluble in water.

SMILES

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C1=CC=C2C(=C1)C(=C(N2)Cl)C=O

InChI

InChI=1S/C9H6ClNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H

InChIKey

XYSSNBNFOBVMAU-UHFFFAOYSA-N

LogP

2.633800000000001

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

185

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

DTXSID90310948
1H-INDOLE-3-CARBOXALDEHYDE, 2-CHLORO-
BB 0256019
AKOS001098788
AMY15110
NCGC00329516-01
XYSSNBNFOBVMAU-UHFFFAOYSA-N
AB03449
2-CHLOROINDOLE-3-CARBOXALDEHYDE
AH-034/32861025
Z89264872
2-chloroindole -3-carboxaldehyde
Q-102922
2-chloro-3-formylindol
EN300-12988
CS-0156034
9R-0810
2-chloroindole-3-carbaldehyde
2-chloro-1h-indole-3-carboxaldehyde
2-Chloro-indole-3-carbaldehyde
NSC-234522
5059-30-3
2-chloro-1H-indole-3-carbaldehyde
NSC234522
FT-0630304
A7497
AB01107796-03
AC-18687
SCHEMBL1093112
MFCD00111620
2-Chloro-1H-indole-3-carbaldehyde

MDL Number

MFCD00111620

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3)?

2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3) is a white to off-white crystalline solid with a molecular weight of approximately 201.6 g/mol. It has a low water solubility and is soluble in organic solvents like methanol and ethanol. This compound is known for its aromatic character and is relatively stable under normal conditions but can react with reducing agents. It is polar and has a significant dipole moment.

How is 2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3) typically synthesized?

2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3) is typically synthesized through a condensation reaction between indole and chloral hydrate in the presence of a base like sodium hydroxide. The reaction is carried out in an organic solvent such as ethanol. The yield is usually around 70-80%, with high selectivity for the desired product. The reaction is known to be mild and can be optimized using various conditions to improve yield and purity.

What industries use 2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3)?

2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3) is primarily used in the pharmaceutical industry for the synthesis of biologically active compounds. It is also utilized in the chemical industry for the development of new materials and in the sensor industry for the production of gas sensors. Additionally, it has potential applications in the semiconductors industry for manufacturing electronic components.

What precautions should be taken when handling 2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3)?

When handling 2-Chloro-1H-indole-3-carbaldehyde (CAS: 5059-30-3), it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat. This compound should be stored in a cool, dry place away from heat and direct sunlight. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, neutralize the spill with an appropriate cleaning agent and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.