4-Cyanobenzoyl chloride
4-Cyanobenzoyl chloride (CAS 6068-72-0), with the linear formula NCC₆H₄COCl and a molecular weight of 165.58 g/mol, is a reactive organic compound. It is primarily utilised as a building block in organic synthesis, particularly for the creation of complex molecules and novel compounds. Its acyl chloride functionality makes it a valuable intermediate in various chemical transformations and research applications.
Synthesis of Heterocyclic Compounds
4-Cyanobenzoyl chloride is employed in the synthesis of liquid crystalline heteroaromatic compounds, specifically those incorporating isoxazole, tetrazole, and 1,2,4-oxadiazole rings, advancing materials science research.
Preparation of Benzoate Esters
This compound serves as a reagent for synthesising substituted benzoate esters, which are then studied for their characteristic excited-state behaviour in photophysical investigations.
Organic Synthesis Intermediate
As a versatile building block, it facilitates the construction of diverse organic molecules, contributing to the development of new chemical entities in research laboratories.
| Molecular weight | 165.58 |
|---|---|
| Linear formula | NCC6H4COCl |
| Assay | 98% |
| Application | 4-Cyanobenzoyl chloride has been used in the synthesis of new liquid crystalline heteroaromatic compounds containing the five-membered isoxazole, tetrazole and 1,2,4-oxadiazole rings1. It has been used in the synthesis of substituted benzoate esters and to study their excited-state behavior2. |
| Melting point | 68-70 °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) | 26-36/37/39-45 |
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 is 4-Cyanobenzoyl chloride used for?
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4-Cyanobenzoyl chloride is used as a building block in organic synthesis, including the preparation of heterocyclic compounds and substituted benzoate esters for research purposes.
What is the CAS number and chemical formula for 4-Cyanobenzoyl chloride?
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The CAS number is 6068-72-0 and the linear chemical formula is NCC₆H₄COCl.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 4-Cyanobenzoyl chloride with an assay of 98%. This product is not represented as USP, BP, EP, or other pharmacopoeial grades.
How should 4-Cyanobenzoyl chloride be handled safely?
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4-Cyanobenzoyl chloride is a Danger material (H314) causing severe skin burns and eye damage. Handling requires appropriate personal protective equipment, including eyeshields, face shields, and chemical-resistant gloves. Ensure adequate ventilation and consult the Safety Data Sheet (SDS) before use.
Does TSS export 4-Cyanobenzoyl chloride?
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Yes, Tech Serve Solutions is a global supplier and exporter of fine chemicals, including 4-Cyanobenzoyl chloride, adhering to international shipping regulations (UN 3261).
How can I request a sample or quote for 4-Cyanobenzoyl chloride?
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To request a sample or quote, please contact our sales department through the website or by calling us directly. Please reference the product name and CAS number.
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