Ethyl 3-isocyanatobenzoate
Ethyl 3-isocyanatobenzoate (CAS 67531-68-4) is an organic compound with the linear formula OCN C6H4 CO2 C2H5 and a molecular weight of 191.18 g/mol. It is a valuable building block in organic synthesis, particularly for introducing the 3-(ethoxycarbonyl)phenyl isocyanate moiety into various molecular structures. This compound serves as a key intermediate in the development of pharmaceuticals and other complex organic molecules.
Organic Synthesis Intermediate
Ethyl 3-isocyanatobenzoate is widely employed as a versatile building block in organic synthesis. Its isocyanate group readily reacts with nucleophiles, enabling the formation of ureas, carbamates, and amides.
Pharmaceutical Research
This compound finds application in the synthesis of potential pharmaceutical agents and drug discovery programmes. It allows for the construction of novel molecular scaffolds with potential biological activity.
Material Science
The reactivity of the isocyanate group makes Ethyl 3-isocyanatobenzoate a useful reagent in polymer chemistry and material science for modifying polymer properties or synthesising new polymeric materials.
| Molecular weight | 191.18 |
|---|---|
| Linear formula | OCNC6H4CO2C2H5 |
| Assay | 97% |
| Boiling point | 213 °C(lit.) |
| Density | 1.154 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.531(lit.) |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H334May cause allergy or asthma symptoms 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
- P342
| 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 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38-42 |
| Safety statements (S) | 26-27-37/39 |
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 Ethyl 3-isocyanatobenzoate used for?
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Ethyl 3-isocyanatobenzoate is primarily used as a building block in organic synthesis and in pharmaceutical research for the development of new compounds.
What is the CAS number and formula for Ethyl 3-isocyanatobenzoate?
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The CAS number for Ethyl 3-isocyanatobenzoate is 67531-68-4, and its linear formula is OCN C6H4 CO2 C2H5.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Ethyl 3-isocyanatobenzoate with a minimum purity of 97%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
How should Ethyl 3-isocyanatobenzoate be handled safely?
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Ethyl 3-isocyanatobenzoate is a dangerous substance. It is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and eye irritation. It may also cause respiratory irritation and allergy or asthma symptoms or breathing difficulties if inhaled. Appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection, must be used.
How is Ethyl 3-isocyanatobenzoate packed, shipped, and exported?
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Ethyl 3-isocyanatobenzoate is carefully packed according to industry standards for safe transportation. Tech Serve Solutions exports this chemical globally to researchers and industries.
How can I request a sample or quote for Ethyl 3-isocyanatobenzoate?
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To request a sample or a quote for Ethyl 3-isocyanatobenzoate, please contact our sales department via the website or by calling us.
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