Benzyl 1H-1,2,4-triazol-1-ylacetate

Basic Information

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CAS Number

883106-35-2

Molecular Formula

C11H11N3O2

Molecular Weight

217.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)COC(=O)CN2C=NC=N2

InChI

InChI=1S/C11H11N3O2/c15-11(6-14-9-12-8-13-14)16-7-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2

InChIKey

XNDXQSVWSKBZIM-UHFFFAOYSA-N

LogP

1.0215

Topological Polar Surface Area

57.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

229

Synonyms & References

English

Z252863712
benzyl2-(1H-1,2,4-triazol-1-yl)acetate
883106-35-2
BENZYL 1H-1,2,4-TRIAZOL-1-YLACETATE
EN300-255956
benzyl 2-(1,2,4-triazol-1-yl)acetate
benzyl 2-(1H-1,2,4-triazol-1-yl)acetate
DTXSID20694864
AKOS028114579
Benzyl (1H-1,2,4-triazol-1-yl)acetate
Benzyl 1H-1,2,4-triazol-1-ylacetate

MDL Number

MFCD07772017

FAQ

What is Benzyl 1H-1,2,4-triazol-1-ylacetate (CAS: 883106-35-2)?

Benzyl 1H-1,2,4-triazol-1-ylacetate is a chemical compound with the CAS number 883106-35-2. It is an acetate ester derivative of 1H-1,2,4-triazole and is used in various applications including pharmaceuticals and research. Its chemical structure includes a benzyl group and a 1H-1,2,4-triazol-1-ylacetate moiety.

What are the main uses of Benzyl 1H-1,2,4-triazol-1-ylacetate (CAS: 883106-35-2)?

Benzyl 1H-1,2,4-triazol-1-ylacetate is primarily used in pharmaceuticals and research. It serves as a precursor or intermediate in the synthesis of other compounds, and it may have applications in medicinal chemistry, drug discovery, and material science.

Is Benzyl 1H-1,2,4-triazol-1-ylacetate (CAS: 883106-35-2) safe?

Benzyl 1H-1,2,4-triazol-1-ylacetate (CAS: 883106-35-2) is generally safe when handled properly. However, it is important to follow all safety precautions, including wearing appropriate personal protective equipment, and storing it in a cool, dry place away from direct sunlight and heat sources.

How should Benzyl 1H-1,2,4-triazol-1-ylacetate (CAS: 883106-35-2) be stored?

Benzyl 1H-1,2,4-triazol-1-ylacetate should be stored in a cool, dark place to avoid exposure to light and heat. It should be kept in a tightly closed container to prevent moisture and air from entering. The storage temperature should be below room temperature, ideally between 10-20°C, to maintain its stability and prevent degradation.