Ethyl 2-isothiocyanatobenzoate
Ethyl 2-isothiocyanatobenzoate (CAS: 99960-09-5), with the linear formula SCNC<sub>6</sub>H<sub>4</sub>CO<sub>2</sub>C<sub>2</sub>H<sub>5</sub> and a molecular weight of 207.25 g/mol, is a valuable organic building block. This sulfur-containing compound is primarily utilised in chemical synthesis and organic chemistry research. Its isothiocyanate and ester functionalities offer diverse reactivity for constructing more complex molecular architectures.
Organic Synthesis Intermediate
Ethyl 2-isothiocyanatobenzoate serves as a key intermediate in the synthesis of various organic compounds. Its reactive isothiocyanate group can participate in numerous nucleophilic addition reactions, enabling the formation of heterocycles and other functionalised molecules.
Research and Development
This compound is employed in academic and industrial research laboratories for exploring novel synthetic routes and developing new chemical entities. Its structure makes it a versatile starting material for medicinal chemistry and materials science investigations.
Building Block for Heterocycles
The presence of both an ester and an isothiocyanate moiety makes it suitable for constructing sulphur- and nitrogen-containing heterocyclic systems, which are prevalent in pharmaceuticals and agrochemicals.
| Molecular weight | 207.25 |
|---|---|
| Linear formula | SCNC6H4CO2C2H5 |
| Assay | 95% |
| Boiling point | 150 °C/1 mmHg(lit.) |
| Density | 1.201 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.614(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 | Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 3334 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 23-26-36/37/39-45 |
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 Ethyl 2-isothiocyanatobenzoate used for?
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Ethyl 2-isothiocyanatobenzoate is primarily used as an intermediate in organic synthesis and as a building block for constructing complex organic molecules, particularly heterocyclic compounds, in research and development settings.
What is the CAS number and formula for Ethyl 2-isothiocyanatobenzoate?
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The CAS number is 99960-09-5, and its linear formula is SCNC<sub>6</sub>H<sub>4</sub>CO<sub>2</sub>C<sub>2</sub>H<sub>5</sub>.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Ethyl 2-isothiocyanatobenzoate with an assay of 95%. This product is intended for research and chemical synthesis purposes and is not represented as USP, BP, or EP grade.
How should Ethyl 2-isothiocyanatobenzoate be handled safely?
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Ethyl 2-isothiocyanatobenzoate is a corrosive substance (H314). Handle with appropriate personal protective equipment, including chemical-resistant gloves, eye protection (goggles and face shield), and respiratory protection. Ensure adequate ventilation. Refer to the Safety Data Sheet for detailed handling instructions.
How is this chemical packed, shipped, and exported?
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Tech Serve Solutions packs, ships, and exports chemicals in compliance with international regulations, ensuring safe and secure transit. Specific packaging details can be provided upon request for individual orders.
How can I request a sample or quote for Ethyl 2-isothiocyanatobenzoate?
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To request a sample or a quote for Ethyl 2-isothiocyanatobenzoate, please contact our sales department via the website or direct email, providing your specific requirements.
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