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

4-(4-Cyanobenzyl)-1,2,4-Triazole - Names and Identifiers

Name	4-(4-Cyanobenzyl)-1,2,4-Triazole
Synonyms	Letrozole Impurity 39 4-(4-CYANOBENZYL)-1,2,4-TRIAZOLE 4-(4-Cyanobenzyl)-1,2,4-Triazole 4-(1,2,4-Triazol-4-Ylmethyl)Benzonitrile 4-((4H-1,2,4-TRIAZOL-4-YL)METHYL)BENZONITRILE 4-((4H-1,2,4-Triazol-4-Yl)Methyl)Benzonitrile Benzonitrile, 4-(4H-1,2,4-triazol-4-ylmethyl)-
CAS	112809-27-5
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

4-(4-Cyanobenzyl)-1,2,4-Triazole - Physico-chemical Properties

Molecular Formula	C10H8N4
Molar Mass	184.2
Density	1.19±0.1 g/cm3(Predicted)
Melting Point	144-147°C
Boling Point	412.1±55.0 °C(Predicted)
Flash Point	203°C
Solubility	Chloroform (Slightly, Heated), Methanol (Slightly)
Vapor Presure	5.31E-07mmHg at 25°C
Appearance	Solid
Color	White to Pale Yellow
pKa	2.76±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.642

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

4-(1H-1, 3,4-triazolylmethyl) benzonitrile is also known as 4-(1H-1,2,3-triazolylmethyl) benzonitrile or TMZ, and its chemical structure is C10H8N4. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
1. Appearance: 4-(1H-1, 3,4-triazolylmethyl) benzene is colorless crystal or light yellow solid.
2. melting point: about 134-136 degrees Celsius.
3. Solubility: easy to dissolve in ethanol, dimethyl sulfoxide and chloroform.

Use:
1. 4-(1H-1, 3,4-triazolylmethyl) benzene is an important organic synthesis intermediate, widely used in the field of drug synthesis.
2. It is commonly used in the synthesis of heterocyclic compounds, bioactive molecules and functional materials.

Preparation Method:
The preparation method of 4-(1H-1, 3,4-triazolylmethyl) benzonitrile is as follows:
2-Nitrobenzoyl and 1-benzyl -1,2,3-triazole are hydrogenated under alkaline conditions to produce the corresponding aromatic hydrocarbon, and the product is washed with alcohol and then subjected to reduction treatment to obtain the target compound.

Safety Information:
1. 4-(1H-1, 3,4-triazolylmethyl) benzonitrile should strictly follow laboratory practices and wear appropriate personal protective equipment.
2. during storage and use, contact with oxidants, acids and strong bases should be avoided to prevent dangerous reactions.
3. In case of contact with skin, eyes or inhalation of vapors, rinse immediately with plenty of water and seek medical attention.
4. The toxicity and danger of the compound have not been fully studied, and a comprehensive risk assessment and correct experimental operation should be carried out before use.

Last Update：2024-04-09 02:00:41