Butyl 2-isocyanatobenzoate
Butyl 2-isocyanatobenzoate (CAS 51310-19-1) is an organic compound with the linear formula OCNC6H4CO2(CH2)3CH3 and a molecular weight of 219.24 g/mol. This isocyanate derivative serves as a valuable building block in organic synthesis, particularly for the introduction of the 2-(butoxycarbonyl)phenyl isocyanate moiety. Its reactivity makes it suitable for various chemical transformations and the development of novel compounds.
Organic Synthesis Intermediate
Butyl 2-isocyanatobenzoate functions as a versatile intermediate in the synthesis of complex organic molecules. Its isocyanate group readily reacts with nucleophiles, enabling the formation of amides, ureas, and carbamates.
Building Block for Heterocycles
This compound can be employed as a key building block in the construction of various heterocyclic systems. Reactions involving the isocyanate and benzoate ester functionalities allow for the creation of diverse ring structures.
Pharmaceutical and Agrochemical Research
It serves as a precursor in the research and development of new pharmaceutical agents and agrochemicals. Its structure can be incorporated into molecules designed for specific biological activities.
| Molecular weight | 219.24 |
|---|---|
| Linear formula | OCNC6H4CO2(CH2)3CH3 |
| Assay | 98% |
| Boiling point | 190 °C/30 mmHg(lit.) |
| Density | 1.123 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.527(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 1693 6.1 / PGII |
| 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 2-isocyanatobenzoate used for?
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Butyl 2-isocyanatobenzoate is primarily used as a building block and intermediate in organic synthesis, with applications in the development of pharmaceuticals, agrochemicals, and other complex organic molecules.
What are the CAS number and molecular formula for Butyl 2-isocyanatobenzoate?
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The CAS number is 51310-19-1, and the linear formula is OCNC6H4CO2(CH2)3CH3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Butyl 2-isocyanatobenzoate with an assay of 98%. TSS does not represent this product as USP, BP, or EP grade.
How should Butyl 2-isocyanatobenzoate be handled safely?
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Butyl 2-isocyanatobenzoate is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and serious eye irritation, and respiratory irritation. Appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, must be used. Handle in a well-ventilated area.
Is Butyl 2-isocyanatobenzoate a controlled substance?
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The provided data does not indicate that Butyl 2-isocyanatobenzoate is a controlled substance.
How is Butyl 2-isocyanatobenzoate packed, shipped, and exported?
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Butyl 2-isocyanatobenzoate is packed in compliance with transportation regulations, such as UN 1693 Class 6.1. Tech Serve Solutions exports fine chemicals globally, adhering to all relevant international shipping and customs requirements.
How can I request a sample or quote for Butyl 2-isocyanatobenzoate?
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To request a sample or obtain a quotation, please contact our sales department through the website or by phone, providing your specific requirements.
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