4-chloro-1H-indole-3-carbonitrile

Basic Information

View in Editor

CAS Number

889942-73-8

Molecular Formula

C9H5ClN2

Molecular Weight

165.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

383.825°C at 760 mmHg

Density

1.411

Flash Point

185.931°C

Refractive Index

1.686

SMILES

View in Editor

C1=CC2=C(C(=C1)Cl)C(=CN2)C#N

InChI

InChI=1S/C9H5ClN2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,12H

InChIKey

GETNWFHVVSHRPS-UHFFFAOYSA-N

LogP

3.1297200000000007

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

220

Synonyms & References

English

4-Chloro-1H-indole-3-carbonitrile
4-Chloro-1H-indazole-3-carbonitrile
1H-Indole-3-carbonitrile,4-chloro-
4-Chloro-1H-indole-3-carbonitrile (ACI)
4-Chloroindole-3-carbonitrile
DTXSID00680563
SCHEMBL12309709
CS-0036918
889942-73-8
1H-Indole-3-carbonitrile, 4-chloro-
AKOS006287765
DB-022544
ALBB-035497
4-chloro-1H-indole-3-carbonitrile

MDL Number

MFCD07776615

FAQ

What regulatory guidelines apply to 4-chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8)?

4-Chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its health and environmental hazards. In Europe, it is subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific requirements for its handling, storage, and environmental release. Compliance with these guidelines is essential to ensure safety and regulatory adherence.

Are there alternatives to 4-chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8) in synthesis?

4-Chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8) can be synthesized using various alternatives such as 4-amino-1H-indole-3-carbonitrile or 4-hydroxy-1H-indole-3-carbonitrile, depending on the desired functional groups. Other substituted indoles or analogs like 4-chloro-1H-indole-3-carbonitrile with different substituents may also be considered. These alternatives can offer similar properties but with different synthetic pathways and reactivity.

What is the market or research trend for 4-chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8)?

The market for 4-chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as a precursor for indole derivatives, which are valuable for developing new drugs and pesticides. Market demand is driven by increasing R&D activities in these sectors, with a particular emphasis on sustainable and environmentally friendly synthesis methods.

How should waste containing 4-chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8) be handled?

Waste containing 4-chloro-1H-indole-3-carbonitrile (CAS: 889942-73-8) must be handled according to local and international regulations. Collection and disposal should be done by trained personnel using appropriate safety measures. Waste should be neutralized if necessary and then incinerated or sent to a licensed waste disposal facility. Environmental protection measures, such as containment and spill prevention, should be implemented to prevent contamination. Proper documentation and labeling are crucial for compliance with regulatory requirements.