1H-Benzotriazole-1-acetonitrile
1H-Benzotriazole-1-acetonitrile (CAS 111198-08-4) is a chemical compound with the formula C8H6N4 and a molecular weight of 158.16 g/mol. This nitrogen-rich organic molecule serves as a valuable building block and reactant in various synthetic chemistry applications. It is particularly noted for its utility in C-C bond formation, cyclization reactions, and the preparation of complex heterocyclic derivatives with potential applications in areas such as green luminance dyes and antibacterial agents.
- IUPAC
- Benzotriazol-1-ylacetonitrile
- Synonyms
- Benzotriazol-1-ylacetonitrile
Hydrothermal Reactions
1H-Benzotriazole-1-acetonitrile acts as a reactant in hydrothermal reaction processes. Its incorporation into these reactions can lead to the formation of specific chemical structures under elevated temperature and pressure conditions.
Synthesis of Luminance Dyes
This compound is used in the preparation of aminonaphthylacrylonitrile derivatives. These derivatives have been explored for their properties as green luminance dyes, contributing to advancements in optical materials.
Preparation of Antibacterial Agents
It serves as a precursor for synthesizing (aminomethyl)(cyanovinylphenyl)oxazolidinone derivatives. These heterocyclic compounds are investigated for their potential antibacterial activity.
Cyclization Reactions
1H-Benzotriazole-1-acetonitrile participates in cyclization reactions, notably with sodium azide. This reactivity is key to forming new ring systems within organic molecules.
Synthesis of Antitumor Agents
Through rearrangement and subsequent cycloaddition reactions with sodium azide, substituted triazoles with potential antitumor properties can be prepared using this benzotriazole derivative.
| Molecular weight | 158.16 |
|---|---|
| Empirical formula | C8H6N4 |
| Assay | 95% |
| Application | Reactant for:• Hydrothermal reactions1• Preparation of aminonaphthylacrylonitrile derivatives as green luminance dyes2• Preparation of (aminomethyl)(cyanovinylphenyl)oxazolidinones with heterocyclic pendant as antibacterial agents3• Cyclization reactions with sodium azide4• Preparation of substituted triazoles (as antitumor agents) via rearrangement reaction followed by cycloaddition of corresponding (cyanomethyl)benzotriazole5 |
| Melting point | 84-89 °C(lit.) |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 1H-Benzotriazole-1-acetonitrile used for?
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1H-Benzotriazole-1-acetonitrile is used as a reactant in hydrothermal reactions, in the preparation of aminonaphthylacrylonitrile derivatives as green luminance dyes, in the synthesis of (aminomethyl)(cyanovinylphenyl)oxazolidinones with potential antibacterial properties, in cyclization reactions with sodium azide, and in the preparation of substituted triazoles as antitumor agents.
What are the CAS number and formula for 1H-Benzotriazole-1-acetonitrile?
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The CAS number for 1H-Benzotriazole-1-acetonitrile is 111198-08-4, and its empirical formula is C8H6N4.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1H-Benzotriazole-1-acetonitrile with an assay of 95%. This product is supplied for research and development purposes and is not represented as USP, EP, BP, or any other pharmacopoeia grade.
What are the primary hazards associated with 1H-Benzotriazole-1-acetonitrile?
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1H-Benzotriazole-1-acetonitrile is classified as harmful if swallowed (H302), harmful in contact with skin (H312), causes skin irritation (H315), causes serious eye irritation (H319), harmful if inhaled (H332), and may cause respiratory irritation (H335). Appropriate personal protective equipment, including a dust mask (type N95 US), eyeshields, and gloves, should be used during handling.
How is 1H-Benzotriazole-1-acetonitrile packed, shipped, and exported?
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1H-Benzotriazole-1-acetonitrile is carefully packed to ensure product integrity during transit. As a global supplier, Tech Serve Solutions exports chemicals worldwide, adhering to all relevant international shipping regulations for hazardous materials.
How can I request a sample or quote for 1H-Benzotriazole-1-acetonitrile?
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To request a sample or a quote for 1H-Benzotriazole-1-acetonitrile, please use the enquiry form on our website or contact our sales team directly with your specific requirements.
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