4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile
4,4'-(4H-1,2,4-Triazol-4-ylmethylene)bis benzonitrile
CAS: 112809-52-6
Molecular Formula: C17H11N5
4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile - Names and Identifiers
| Name | 4,4'-(4H-1,2,4-Triazol-4-ylmethylene)bis benzonitrile |
| Synonyms | Iso Letrozole AMiodarone IMpurity-B AMiodarone IMpurity-A Letrozole USP iMpurities Letrozole Related CoMpound A 4,4'-(4H-1,3,4-TRIAZOL-4-YLMETHYLENE)BIS 4,4'-(4H-1,2,4-Triazol-4-ylmethylene)dibenzonitrile 4,4'-(1H-1,3,4-triazol-1-ylMethylene)dibenzonitrile 4,4'-(4H-1,2,4-TRIAZOL-4-YLMETHYLENE)BIS BENZONITRILE 4,4'-(4H-1,2,4-triazol-4-ylmethanediyl)dibenzonitrile 4,4'-(4H-1,2,4-Triazol-4-ylmethylene)bis benzonitrile benzonitrile, 4,4'-(4H-1,2,4-triazol-4-ylmethylene)bis- 4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile |
| CAS | 112809-52-6 |
| InChI | InChI=1/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-11-20-21-12-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H |
4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile - Physico-chemical Properties
| Molecular Formula | C17H11N5 |
| Molar Mass | 285.3 |
| Density | 1.21±0.1 g/cm3(Predicted) |
| Melting Point | 239-243 °C |
| Boling Point | 563.5±60.0 °C(Predicted) |
| Flash Point | 294.6°C |
| Solubility | Chloroform (Slightly, Heated), Methanol (Slightly) |
| Vapor Presure | 1.01E-12mmHg at 25°C |
| Appearance | Solid |
| Color | Off-White to Pale Yellow |
| pKa | 2.48±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.665 |
4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile - Risk and Safety
| HS Code | 2933998350 |
4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)methyl]benzonitrile - Introduction
4,4 '-(4H-1, 2,4-triazole-4-methylene) bisbenzonitrile is an organic compound with the formula C19H10N6. The following is a detailed description of the properties, uses, preparation methods and safety information of the compound:
Nature:
4,4 '-(4H-1, 2,4-triazole-4-methylene) bisbenzonitrile is a white to pale yellow crystal. It is soluble in solvents such as chloroform, dimethyl sulfoxide and ethanol. The compound has high heat and light stability.
Use:
4,4 '-(4H-1, 2,4-triazole-4-methylene) bisbenzonitrile is commonly used as an intermediate for dyes, replication materials and fluorescent stains. It can also be used in the preparation of catalysts and ligands in organic synthesis reactions, as well as fungicides.
Preparation Method:
4,4 '-(4H-1, 2,4-triazole-4-methylene) bis-benzonitrile has many preparation methods, one of which is commonly used through a series of organic synthesis reactions. The specific steps include reacting 1,4-dihydroxybenzene with tricyanourea to give 2,3-dicyanoacrylate diester, which is then condensed with benzyl alcohol under alkaline conditions to produce the target product.
Safety Information:
There are few studies on the toxicity and safety of 4,4 '-(4H-1, 2,4-triazole-4-methylene) bisbenzonitrile, so the understanding of its safety is limited. However, like other organic compounds, it may cause certain harm to the human body and the environment.
When handling this compound, take appropriate personal protective measures, such as wearing protective gloves, glasses, and protective face masks to avoid inhalation or contact with skin. Keep well ventilated during use and avoid storage or contact with substances such as oxidants and strong acids.
In addition, when using this compound, correct operating methods and laboratory safety procedures should be followed. When handling or disposing of the compound, local regulations and safe operating guidelines should be observed. If necessary, please consult a professional or relevant organization for more detailed safety information.
Nature:
4,4 '-(4H-1, 2,4-triazole-4-methylene) bisbenzonitrile is a white to pale yellow crystal. It is soluble in solvents such as chloroform, dimethyl sulfoxide and ethanol. The compound has high heat and light stability.
Use:
4,4 '-(4H-1, 2,4-triazole-4-methylene) bisbenzonitrile is commonly used as an intermediate for dyes, replication materials and fluorescent stains. It can also be used in the preparation of catalysts and ligands in organic synthesis reactions, as well as fungicides.
Preparation Method:
4,4 '-(4H-1, 2,4-triazole-4-methylene) bis-benzonitrile has many preparation methods, one of which is commonly used through a series of organic synthesis reactions. The specific steps include reacting 1,4-dihydroxybenzene with tricyanourea to give 2,3-dicyanoacrylate diester, which is then condensed with benzyl alcohol under alkaline conditions to produce the target product.
Safety Information:
There are few studies on the toxicity and safety of 4,4 '-(4H-1, 2,4-triazole-4-methylene) bisbenzonitrile, so the understanding of its safety is limited. However, like other organic compounds, it may cause certain harm to the human body and the environment.
When handling this compound, take appropriate personal protective measures, such as wearing protective gloves, glasses, and protective face masks to avoid inhalation or contact with skin. Keep well ventilated during use and avoid storage or contact with substances such as oxidants and strong acids.
In addition, when using this compound, correct operating methods and laboratory safety procedures should be followed. When handling or disposing of the compound, local regulations and safe operating guidelines should be observed. If necessary, please consult a professional or relevant organization for more detailed safety information.
Last Update：2024-04-10 22:29:15
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