7-Chloro-1H-indole

Basic Information

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CAS Number

53924-05-3

Molecular Formula

C8H6ClN

Molecular Weight

151.6 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

Physical State

White to Yellow Solid

Melting Point

56.0 to 60.0 deg-C

Boiling Point

90-95 °C/0.25 mmHg

Density

1.1976 (rough estimate)

Flash Point

158.9oC

Refractive Index

1.5660 (estimate)

SMILES

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C1=CC2=C(C(=C1)Cl)NC=C2

InChI

InChI=1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H

InChIKey

WMYQAKANKREQLM-UHFFFAOYSA-N

LogP

2.821300000000001

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005174238
BIDD:GT0137
EN300-117693
MFCD01321301
WMYQAKANKREQLM-UHFFFAOYSA-N
C-4250
BCP26628
FT-0621389
53924-05-3
1H-Indole, 7-chloro-
SCHEMBL443938
Indole, 7-chloro
CS-W020039
7-Chloroindole
FS-2241
A7832
SY029004
7-Chloro-1H-indole
AM20060937
SB14992
NS00032876
DTXSID80202207
7-Chloro-1H-indole pound>>1H-Indole, 7-chloro-
C2436
7-Chloroindole, 97%
EINECS 258-865-7
3,5-xylyloxyaceticacid
CHEMBL111579
AC-24620
7-chloro-indole
TP2MHC8CJ2

MDL Number

MFCD01321301

Customs Code

29339990

FAQ

What are the physical and chemical properties of 7-Chloro-1H-indole (CAS: 53924-05-3)?

7-Chloro-1H-indole is a crystalline solid with a molecular weight of approximately 165.01 g/mol. It has a low solubility in water but is more soluble in organic solvents such as methanol and dichloromethane. The compound is moderately reactive, particularly in the presence of nucleophiles, and can undergo substitution reactions. It is stable under normal storage conditions but should be protected from moisture and light.

How is 7-Chloro-1H-indole (CAS: 53924-05-3) typically synthesized?

7-Chloro-1H-indole is commonly synthesized via the indole derivative transformation method, where indole is chlorinated at the 7-position using thionyl chloride in the presence of a Lewis acid catalyst. Other methods include chlorination of 1H-indole using fuming sulfuric acid under controlled conditions. The synthesis typically yields 70-85% purity with good selectivity.

What industries use 7-Chloro-1H-indole (CAS: 53924-05-3)?

7-Chloro-1H-indole is used in various industries, primarily in the pharmaceutical sector for the synthesis of medicinal compounds. It is also applied in the production of certain agrochemicals and as a precursor in the development of sensors and materials for electronic devices.

What precautions should be taken when handling 7-Chloro-1H-indole (CAS: 53924-05-3)?

When handling 7-Chloro-1H-indole, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to minimize exposure. Spills should be contained and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed handling and storage instructions.