Butyl 4-isocyanatobenzoate
Butyl 4-isocyanatobenzoate (CAS: 102561-47-7) is an organic compound with the linear formula OCNC6H4CO2(CH2)3CH3 and a molecular weight of 219.24 g/mol. This chemical serves as a valuable building block in organic synthesis, particularly within the realm of isocyanates and nitrogen compounds. Its utility lies in its reactive isocyanate group, making it a key intermediate for developing more complex molecules and materials. Available at 98% purity, it is suitable for research and development applications.
Organic Synthesis Intermediate
Butyl 4-isocyanatobenzoate functions as a versatile intermediate in the synthesis of diverse organic compounds. Its isocyanate functionality readily participates in reactions such as addition with nucleophiles, enabling the formation of ureas, carbamates, and other derivatives.
Material Science Research
The compound can be employed in the development of novel polymers and functional materials. Its incorporation into polymer backbones or as a cross-linking agent can modify material properties, such as thermal stability and mechanical strength.
Pharmaceutical and Agrochemical Synthesis
As a building block, it finds application in the synthetic routes for potential pharmaceutical agents and agrochemicals. The isocyanate group allows for tailored modifications to create compounds with specific biological activities.
| Molecular weight | 219.24 |
|---|---|
| Linear formula | OCNC6H4CO2(CH2)3CH3 |
| Assay | 98% |
| Boiling point | 295 °C(lit.) |
| Density | 1.105 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.526(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 | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 2206 6.1/PG 3 |
| 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 Butyl 4-isocyanatobenzoate used for?
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Butyl 4-isocyanatobenzoate is primarily used as a building block in organic synthesis, particularly for creating ureas, carbamates, and other derivatives. It also finds application in material science research and the synthesis of potential pharmaceutical and agrochemical compounds.
What is the CAS number and formula for Butyl 4-isocyanatobenzoate?
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The CAS number for Butyl 4-isocyanatobenzoate is 102561-47-7. Its linear formula is OCNC6H4CO2(CH2)3CH3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Butyl 4-isocyanatobenzoate with an assay of 98%. This product is intended for research and chemical synthesis purposes and is not represented as USP, BP, EP, or any other pharmacopoeia grade.
How should Butyl 4-isocyanatobenzoate be handled safely?
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Butyl 4-isocyanatobenzoate is a Warning substance classified with hazards including H302, H312, H315, H319, H332, and H335. It is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and eye irritation, and respiratory irritation. Appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection (e.g., full-face respirator or type ABEK filter), must be used. Ensure good ventilation.
Is Butyl 4-isocyanatobenzoate a controlled substance?
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Based on the provided data, there is no indication that Butyl 4-isocyanatobenzoate is a controlled substance.
How is Butyl 4-isocyanatobenzoate packed and exported?
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Butyl 4-isocyanatobenzoate is classified under UN 2206, Class 6.1, Packing Group III for transport. Tech Serve Solutions, a specialist global supplier and exporter, ensures appropriate packaging and compliance with international shipping regulations.
How can I request a sample or quote for Butyl 4-isocyanatobenzoate?
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To request a sample or obtain a quote for Butyl 4-isocyanatobenzoate, please contact the Tech Serve Solutions sales team through the website or designated contact channels.
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