5-Chloro-1H-indole-3-carbaldehyde

Basic Information

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CAS Number

827-01-0

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

Melting Point

213-216 °C

Boiling Point

373.4 ºCat 760 mmHg

Density

1.431

Flash Point

179.6 ºC

Refractive Index

1.731

SMILES

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C1=CC2=C(C=C1Cl)C(=CN2)C=O

InChI

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

InChIKey

YXEXOIGXNYITQH-UHFFFAOYSA-N

LogP

2.6338

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

185

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

SCHEMBL351715
CS-W004140
SY030629
CHEMBL4575856
827-01-0
AKOS005171675
Z1162450200
1H-Indole-3-carboxaldehyde, 5-chloro-
5-chloro-1H-indole-3-carbaldehyde
SB14969
BB 0259464
FT-0620320
5-chloro-3-formylindole
AC-18162
5-Chloroindole-3-carboxaldehyde
AM20041213
DTXSID40383642
C-4400
PS-4556
YXEXOIGXNYITQH-UHFFFAOYSA-N
5-chloro-1H-indole-3-carboxaldehyde
EN300-115400
5-Chloroindole-3-carboxaldehyde, 98%
5-chloro indole-3-carboxaldehyde
MFCD00175291
C3703
5-Chloro-1H-indole-3-carbaldehyde
5-CHLORO-1H-INDOLE-3-CARBOXALDEHYDE
5-chloro-3-formyl-indole
5-chloro-3-indolecarboxaldehyde
5-CHLOROINDOLE-3-ALDEHYDE

MDL Number

MFCD00175291

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0)?

5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0) is a crystalline compound with a molecular weight of approximately 181.61 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is poorly soluble in water. Chemically, it is highly reactive, particularly with nucleophiles, and is often used as an intermediate in organic synthesis.

How is 5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0) typically synthesized?

5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0) can be synthesized by the chlorination of indole-3-carbaldehyde using thionyl chloride in the presence of a base like pyridine. This reaction is typically carried out under anhydrous conditions to ensure high yield and selectivity.

What industries use 5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0)?

5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0) is primarily used in pharmaceuticals and fine chemicals for the synthesis of various bioactive compounds. It is also used in the production of polymers and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0)?

When handling 5-Chloro-1H-indole-3-carbaldehyde (CAS: 827-01-0), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be handled with great care and cleaned up using appropriate methods, and safety data sheets (SDS) should be consulted for detailed emergency procedures.