1-(Chloromethyl)-1H-benzotriazole
1-(Chloromethyl)-1H-benzotriazole (CAS: 54187-96-1, Formula: C7H6ClN3, MW: 167.60) is a halogenated heterocyclic compound supplied by Tech Serve Solutions. It serves as a key reactant in organic synthesis, particularly for the preparation of palladium complexes used in Heck coupling reactions and for developing various inhibitors, including those for bacterial peptide deformylase and human mast cell chymase. It is also utilised in Gewald cyclocondensation reactions.
- IUPAC
- 1-(Chloromethyl)benzotriazole
Preparation of Palladium Complexes
This compound acts as a crucial reactant in the synthesis of palladium complexes. These complexes find significant applications in facilitating Heck coupling reactions, a vital carbon-carbon bond-forming methodology in organic chemistry.
Synthesis of Bioactive Inhibitors
1-(Chloromethyl)-1H-benzotriazole is employed in the preparation of inhibitors targeting specific biological pathways. This includes its use in the synthesis of bacterial peptide deformylase (PDF) inhibitors and nonpeptide inhibitors of Human Mast Cell Chymase.
Gewald Cyclocondensation Reactions
The chemical is a suitable reactant for Gewald cyclocondensation reactions, a versatile method for synthesizing thiophene derivatives and other heterocyclic compounds.
| Molecular weight | 167.60 |
|---|---|
| Empirical formula | C7H6ClN3 |
| Assay | 98% |
| Application | Reactant for preparation of:• Palladium complexes for applications in Heck coupling reactions1• Bacterial peptide deformylase (PDF) inhibitors2• Nonpeptide inhibitors of Human Mast Cell Chymase3• Reactant for Gewald cyclocondensation reactions4 |
| Melting point | 136-139 °C(lit.) |
Hazard statements
- H314Causes severe skin burns and eye damage
Precautionary statements
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges |
|---|---|
| Transport (UN / ADR) | UN 3261 8 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-27-36/37/39-45 |
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 are the primary uses of 1-(Chloromethyl)-1H-benzotriazole?
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1-(Chloromethyl)-1H-benzotriazole is primarily used as a reactant in the preparation of palladium complexes for Heck coupling reactions, bacterial peptide deformylase (PDF) inhibitors, nonpeptide inhibitors of Human Mast Cell Chymase, and in Gewald cyclocondensation reactions.
What is the CAS number and chemical formula for 1-(Chloromethyl)-1H-benzotriazole?
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The CAS number is 54187-96-1, and the chemical formula is C7H6ClN3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-(Chloromethyl)-1H-benzotriazole with an assay of 98%. This product is typically supplied for research and chemical synthesis purposes and is not represented as USP, BP, or EP grade.
How should 1-(Chloromethyl)-1H-benzotriazole be handled safely?
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1-(Chloromethyl)-1H-benzotriazole is classified as Danger (GHS05) and causes severe skin burns and eye damage (H314). Appropriate personal protective equipment, including eyeshields, face shields, gloves, and suitable respiratory protection (e.g., N100 or P3 filters), must be used. Handle in a well-ventilated area and follow all safety precautions.
Is 1-(Chloromethyl)-1H-benzotriazole a controlled substance?
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The provided data does not indicate that 1-(Chloromethyl)-1H-benzotriazole is a controlled substance.
How is 1-(Chloromethyl)-1H-benzotriazole packaged and shipped?
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The compound is shipped as UN 3261, Class 8, Packing Group II, indicating it is a corrosive solid, acidic, organic, n.o.s. Proper packaging and handling procedures are followed in accordance with international regulations for hazardous materials.
How can I request a quote or sample for 1-(Chloromethyl)-1H-benzotriazole?
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To request a quote or a sample of 1-(Chloromethyl)-1H-benzotriazole, please contact our sales team through the website or by phone, providing your specific requirements.
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