2-Chloro-1H-indole

Basic Information

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CAS Number

7135-31-1

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

Boiling Point

293°C at 760 mmHg

SMILES

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

InChI

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

InChIKey

HBZHNVUMFPGVHW-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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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

2-chlor-1H-indole
SCHEMBL10569568
DS-14830
1H-Indole,2-chloro-
694-93-9
FT-0699325
AKOS006292411
2-chloro-1H-indole
2-CHLOROINDOLE
A917993
1H-indole, 2-chloro-
1H-Indole,2-chloro-(9CI)
7135-31-1
SY115626
chloroindole
SCHEMBL980499
F11679
MFCD04117990
HBZHNVUMFPGVHW-UHFFFAOYSA-N
CS-0088486
InChI=1/C8H6ClN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10
2-chloro-1H-Indole
1H-INDOLE,2-CHLORO-
2-Chloroindole
1H-indole,2-chloro
2-chloranyl-1H-indole
2-chloro-indole
RW3439
ST1271456
Z1636
A810998

MDL Number

MFCD04117990

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Chloro-1H-indole (CAS: 7135-31-1)?

2-Chloro-1H-indole (CAS: 7135-31-1) is a crystalline solid with a molecular weight of approximately 146.57 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. Chemically, it can undergo electrophilic substitution reactions, particularly at the chlorinated position. It has a pKa of around 10.0, indicating basic behavior in aqueous solutions.

How is 2-Chloro-1H-indole (CAS: 7135-31-1) typically synthesized?

2-Chloro-1H-indole can be synthesized via various methods, including the Claisen condensation of indole with 2-chloroacetic acid followed by amination. Another route involves the reaction of indole with chloromethyl ketone using a Lewis acid catalyst. The yield and selectivity can vary, but these methods typically achieve good efficiency.

What industries use 2-Chloro-1H-indole (CAS: 7135-31-1)?

2-Chloro-1H-indole is used in the pharmaceutical and chemical industries for the synthesis of various indole-derived compounds. It is also utilized in the production of dyes, pigments, and as a precursor in the development of new materials such as polymers and semiconductors.

What precautions should be taken when handling 2-Chloro-1H-indole (CAS: 7135-31-1)?

When handling 2-Chloro-1H-indole, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of fumes. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Ensure the presence of a safety data sheet (SDS) for reference and emergency procedures.