3-Isocyanatobenzoyl chloride
3-Isocyanatobenzoyl chloride (CAS 5180-79-0) is an organic compound with the linear formula OCNC6H4COCl and a molecular weight of 181.58. This reactive chemical serves as a valuable building block in organic synthesis, particularly in the creation of nitrogen-containing compounds and complex organic molecules. Its bifunctional nature, featuring both an isocyanate and an acid chloride group, enables diverse chemical transformations for research and development purposes.
Organic Synthesis Intermediate
Utilised as a versatile intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. The reactive isocyanate and acid chloride functionalities allow for facile derivatization.
Building Block for Heterocycles
Serves as a key building block for constructing heterocyclic ring systems. Its structure is conducive to cyclisation reactions, forming novel molecular scaffolds.
Reagent in Polymer Chemistry
Can be employed in the development of specialised polymers, where the isocyanate group can participate in polymerisation reactions or cross-linking processes.
| Molecular weight | 181.58 |
|---|---|
| Linear formula | OCNC6H4COCl |
| Assay | 95% |
| Boiling point | 91 °C/3 mmHg(lit.) |
| Density | 1.333 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5803(lit.) |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H314Causes severe skin burns and eye damage
- H332Harmful if inhaled
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 2922 8/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 20/21/22-34 |
| Safety statements (S) | 26-27-36/37/39-45 |
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 3-Isocyanatobenzoyl chloride used for?
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3-Isocyanatobenzoyl chloride is primarily used as a building block and intermediate in organic synthesis, particularly for creating nitrogen-containing compounds and in the development of specialised polymers. It is valuable for research and development purposes due to its reactive functional groups.
What are the CAS number and formula for 3-Isocyanatobenzoyl chloride?
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The CAS number for 3-Isocyanatobenzoyl chloride is 5180-79-0, and its linear formula is OCNC6H4COCl.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Isocyanatobenzoyl chloride with an assay of 95%. We do not represent this product as USP, BP, or EP grade; it is suitable for research and chemical synthesis applications.
How should 3-Isocyanatobenzoyl chloride be handled safely?
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3-Isocyanatobenzoyl chloride is classified as dangerous. It causes severe skin burns and eye damage (H314) and is harmful if swallowed, inhaled, or in contact with skin (H302, H332, H312). Appropriate personal protective equipment, including gloves, goggles, a face shield, and respiratory protection, must be used. Handle in a well-ventilated area and seek immediate medical attention if exposed.
How is 3-Isocyanatobenzoyl chloride shipped and exported by TSS?
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Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals. 3-Isocyanatobenzoyl chloride is shipped and exported in compliance with all relevant transport regulations for hazardous materials.
How can I request a quote or sample of 3-Isocyanatobenzoyl chloride?
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To request a quote or sample of 3-Isocyanatobenzoyl chloride, please visit the product page on our website and use the 'Request a Quote' or 'Request Sample' form, or contact our sales team directly.
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