4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

Basic Information

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CAS Number

112809-25-3

Molecular Formula

C10H8N4

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

Melting Point

69-72 ºC

SMILES

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C1=CC(=CC=C1CN2C=NC=N2)C#N

InChI

InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2

InChIKey

HQLYWHSJALKYOV-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

224

Synonyms & References

English

4-(1H-1,2,4-Triazol-1-ylmethyl)-benzonitrile
BCP22604
4-(1H-1,2,4-triazol-1-ylmethyl) benzonitrile
J-002843
1-(4-cyanobenzyl)-1,2,4-triazole
4-(1H-1,2,4-Triazolylmethyl)benzonitrile
Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-
4-[(1h-1,2,4-triazol-1-yl)methyl]benzonitrile
SCHEMBL2285580
4-[1-(1,2,4-triazole-1-yl)methyl]benzonitrile
4-[1-(1,2,4-triazolyl)-methyl-benzonitrile
BDBM50351859
4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile
4-[1-(1,2,4-triazol-1-yl)methyl]benzonitrile
4-((1H-1,2,4-triazol-1-yl)methyl)benzonitrile
FT-0648269
BPS74SKX8K
AKOS000198441
CS-0170216
4-1-(1,2,4-triazolyl)-methyl-benzonitrile
CHEMBL1825020
4-1-(1,2,4-triazolyl)methyl benzonitrile
4-2[1-(1,2,4-Triazol-1-yl)methyl]benzonitrile
HQLYWHSJALKYOV-UHFFFAOYSA-N
4-(1,2,4-triazol-1-ylmethyl)benzonitrile
1-(4-cyanobenzyl)-1h-1,2,4-triazole
YSWG017
TS-02568
MFCD07368016
CCG-357898
Z235362259

MDL Number

MFCD07368016

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile (CAS: 112809-25-3)?

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile (CAS: 112809-25-3) should comply with global chemical regulations, including GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for hazard communication. In the EU, it is subject to REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals). FDA and EPA guidelines also apply for use in pharmaceuticals and environmental releases, respectively.

Are there alternatives to 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile (CAS: 112809-25-3) in synthesis?

Several alternatives exist in synthesis, such as other heterocyclic amines like benzotriazole derivatives or isothiazoles. Common reagents include 1,2,4-triazole-1-yl methyl bromide or analogous compounds, which can serve as precursors to similar functional groups.

What is the market or research trend for 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile (CAS: 112809-25-3)?

The market for 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile (CAS: 112809-25-3) is growing due to its applications in pharmaceuticals and materials science. Emerging research focuses on its biological activity and potential uses in drug discovery. However, ongoing studies are also exploring environmental impact and safety concerns.

How should waste containing 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile (CAS: 112809-25-3) be handled?

Waste containing 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile (CAS: 112809-25-3) should be collected in appropriate containers and disposed of via incineration or professional waste disposal services. Ensure proper environmental protection measures are in place to prevent contamination, following local waste management regulations and safety guidelines.