2-(1H-Pyrazol-1-yl)benzonitrile

Basic Information

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CAS Number

25775-03-5

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

SMILES

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C1=CC=C(C(=C1)C#N)N2C=CC=N2

InChI

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

InChIKey

FMURBLXVPMFBMG-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

218

Safety Information

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Hazard Statement

Synonyms & References

English

Benzonitrile,2-(1H-pyrazol-1-yl)-
2-Pyrazol-1-yl-benzonitrile
EN300-56921
FMURBLXVPMFBMG-UHFFFAOYSA-N
SCHEMBL4219748
2-(1H-pyrazol-1-yl)benzonitrile
Z335294728
CHEBI:194829
DTXSID70428171
2-(1-Pyrazolyl)benzonitrile
25775-03-5
SY180000
MFCD07772802
2-pyrazol-1-ylbenzonitrile
BS-27722
AKOS000261840
AC5746
CS-0202142
W-206981
2-(1H-Pyrazol-1-yl)benzonitrile
1-o-Cyanophenyl-pyrazol
2-pyrazol-1-yl-benzonitrile
2-pyrazolylbenzenecarbonitrile
2-pyrazolylbenzonitrile

MDL Number

MFCD07772802

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5)?

Regulatory guidelines for 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5) include the Global Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. GHS provides classification for health, environmental, and physical hazards. REACH regulations require manufacturers and importers to register chemicals, including 2-(1H-Pyrazol-1-yl)benzonitrile, with the European Chemicals Agency (ECHA). FDA and EPA may regulate the use and disposal of this compound in consumer products and industrial applications, respectively.

Are there alternatives to 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5) in synthesis?

Alternatives to 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5) in synthesis include 2-(1H-imidazol-1-yl)benzonitrile, 2-(1H-pyrrolyl)benzonitrile, and other related nitriles. These compounds can serve as viable alternatives, depending on the specific reaction conditions and desired properties. Common alternative reagents include benzyl alcohol, hydroxylamine hydrochloride, and other nitrile-forming reagents.

What is the market or research trend for 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5)?

The market and research trends for 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5) are driven by its potential applications in pharmaceuticals, agrochemicals, and materials science. Recent research focuses on its use as a precursor in drug synthesis, fungicides, and as a functional material. Market trends show increasing demand in the pharmaceutical industry due to its biological activity, while research trends highlight its role in developing new chemical entities and materials with unique properties.

How should waste containing 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5) be handled?

Waste containing 2-(1H-Pyrazol-1-yl)benzonitrile (CAS: 25775-03-5) should be managed according to local and international regulations. Waste liquid should be collected in designated containers and stored separately. For solid waste, it should be incinerated or disposed of through professional waste disposal services. Environmental protection precautions include proper containment to prevent leakage and regular monitoring of the environment. Compliance with regulations such as the U.S. Resource Conservation and Recovery Act (RCRA) and European Waste Framework Directive is crucial.