CAS 112809-27-5

4-(4-Cyanobenzyl)-1,2,4-Triazole

Description:

4-(4-Cyanobenzyl)-1,2,4-Triazole is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a cyanobenzyl group, which contributes to its unique properties and potential applications. It is typically a crystalline solid at room temperature and may exhibit solubility in organic solvents, depending on the specific conditions. The presence of the cyano group enhances its reactivity and may influence its interaction with biological systems, making it of interest in pharmaceutical research. Additionally, the triazole moiety is known for its role in various biological activities, including antifungal and antimicrobial properties. The compound's molecular structure allows for potential applications in agrochemicals, pharmaceuticals, and materials science. As with many triazole derivatives, it may also exhibit interesting electronic properties, making it a candidate for further studies in organic electronics or as a ligand in coordination chemistry. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.

Formula: C₁₀H₈N₄

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

SMILES: c1cc(ccc1C#N)Cn1cnnc1

Synonyms:

• 4-((4H-1,2,4-Triazol-4-Yl)Methyl)Benzonitrile
• 4-(1,2,4-Triazol-4-Ylmethyl)Benzonitrile
• 1-(4-Cyanobenzyl)-1,3,4-triazole

4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile

CAS: 112809-27-5

Formula: C₁₀H₈N₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 184.1973

Ref: IN-DA0081SA

4-((4H-1,2,4-triazol-4-yl)methyl)benzonitrile

CAS: 112809-27-5

4-((4H-1,2,4-triazol-4-yl)methyl)benzonitrile

Purity: 95+%

Ref: 54-OR1038647

4-(4-Cyanobenzyl)-1,2,4-triazole

Controlled Product

CAS: 112809-27-5

Applications 4-(4-Cyanobenzyl)-1,2,4-triazole is an intermediate in the synthesis of Letrozole (L330100), an oral, non-steroidal, aromatase inhibitor generally used to treat breast cancer as a result of hormone response after surgery.
References Bhatnagar, A.S., et al: J. Steroid Biochem. Mol. Biol., 37, 1021 (1990), Pfister, C.U., et al.: J. Pharm. Sci., 83, 520 (1994), Lipton, A., et al.: Cancer, 75, 2132 (1995),

Formula: C₁₀H₈N₄

Color and Shape: Neat

Molecular weight: 184.20

Ref: TR-C962335

Letrozole Impurity 3

CAS: 112809-27-5

Formula: C₁₀H₈N₄

Molecular weight: 184.2

Ref: ST-EA-CP-L37011