4-(1H-Imidazol-2-yl)benzonitrile

Basic Information

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CAS Number

98298-49-8

Molecular Formula

C10H7N3

Molecular Weight

17.03 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

Basic Physical Properties

Boiling Point

423.8 ℃ at 760 mmHg

Flash Point

138.9℃

SMILES

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C1=CC(=CC=C1C#N)C2=NC=CN2

InChI

InChI=1S/C10H7N3/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-6H,(H,12,13)

InChIKey

ISJCKCQDMBPKML-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

210

Synonyms & References

English

F17469
Benzonitrile, 4-(1H-imidazol-2-yl)-
SCHEMBL378124
ISJCKCQDMBPKML-UHFFFAOYSA-N
Benzonitrile,4-(1H-imidazol-2-yl)-
MFCD05863386
YDA29849
DTXSID60356272
AKOS006281906
FT-0692286
4-(1H-IMIDAZOL-2-YL)-BENZONITRILE
4-(1H-imidazol-2-yl)benzonitrile
4-(Imidazol-2-yl)benzonitrile
SY012466
AS-47982
98298-49-8
A858559
2-(4-cyanophenyl)-1H-imidazole
4-(1H-Imidazol-2-yl)benzonitrile
4-imidazol-2-ylbenzenecarbonitrile
SBB088292
5931AJ
AB0162353
ST24042795

MDL Number

MFCD05863386

Customs Code

2933290090

FAQ

What regulatory guidelines apply to 4-(1H-Imidazol-2-yl)benzonitrile (CAS: 98298-49-8)?

4-(1H-Imidazol-2-yl)benzonitrile (CAS: 98298-49-8) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and requirements from the U.S. FDA and EPA. Users should follow appropriate handling, storage, and disposal guidelines to ensure safety and compliance.

Are there alternatives to 4-(1H-Imidazol-2-yl)benzonitrile (CAS: 98298-49-8) in synthesis?

Yes, there are alternatives to 4-(1H-Imidazol-2-yl)benzonitrile in synthesis, such as other heterocyclic compounds like pyrazoles, triazoles, and oxadiazoles. Researchers often explore these analogs for similar functional properties, depending on the specific application and desired chemical behavior.

What is the market or research trend for 4-(1H-Imidazol-2-yl)benzonitrile (CAS: 98298-49-8)?

The market and research trends for 4-(1H-Imidazol-2-yl)benzonitrile (CAS: 98298-49-8) are focused on its use in pharmaceuticals, agrochemicals, and materials science. Recent studies are exploring its potential as a key intermediate in drug discovery and as a building block for advanced materials. Pricing and demand may vary based on these emerging applications.

How should waste containing 4-(1H-Imidazol-2-yl)benzonitrile (CAS: 98298-49-8) be handled?

Waste containing 4-(1H-Imidazol-2-yl)benzonitrile (CAS: 98298-49-8) should be collected in appropriate containers and stored separately. Incineration is a common method for disposal, and professional waste disposal services should be utilized to ensure proper handling and environmental safety. Always follow local and international regulations for hazardous waste management.