Pentafluorophenyl isocyanate
Pentafluorophenyl isocyanate (CAS 1591-95-3), with the chemical formula C6F5NCO and a molecular weight of 209.07 g/mol, is a highly reactive organic compound. It serves as a key intermediate and building block in organic synthesis, particularly for the introduction of the pentafluorophenyl moiety. Its electrophilic nature makes it valuable in the preparation of diverse fluorinated compounds.
Synthesis of Fluorinated Heterocycles
Pentafluorophenyl isocyanate can be employed in cycloaddition reactions and condensation reactions to construct various fluorinated heterocyclic systems. These structures are of interest in medicinal chemistry and materials science.
Derivatisation Reagent
This isocyanate is used to derivatise compounds containing nucleophilic groups such as amines and alcohols. The resulting pentafluorophenyl carbamates and ureas can be useful intermediates or target molecules.
Polymer Chemistry
The pentafluorophenyl group can impart unique properties to polymers, such as thermal stability and altered solubility. Pentafluorophenyl isocyanate can be incorporated into polymer backbones or side chains.
Organic Synthesis Building Block
As a fluorinated building block, it enables the introduction of a strongly electron-withdrawing pentafluorophenyl group into organic molecules, influencing their electronic and steric properties for further synthetic elaboration.
| Molecular weight | 209.07 |
|---|---|
| Linear formula | C6F5NCO |
| Assay | 97% |
| Boiling point | 52 °C/2 mmHg(lit.) |
| Density | 1.6 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.449(lit.) |
| Storage temperature | 2-8°C |
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 | 110 °C / 230 °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) | 23-26-36 |
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 Pentafluorophenyl isocyanate used for?
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Pentafluorophenyl isocyanate is primarily used as a building block in organic synthesis for introducing the pentafluorophenyl group, in the preparation of fluorinated heterocycles, and as a derivatisation reagent for compounds with nucleophilic groups.
What is the CAS number and chemical formula for Pentafluorophenyl isocyanate?
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The CAS number is 1591-95-3 and the chemical formula is C6F5NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Pentafluorophenyl isocyanate with an assay of 97%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade unless explicitly stated in the product specifications.
How should Pentafluorophenyl isocyanate be handled safely?
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Pentafluorophenyl isocyanate is a Danger material, harmful if swallowed, in contact with skin, or inhaled, and causes skin and eye irritation, and respiratory irritation. Handle with appropriate personal protective equipment, including eyeshields, face shield, gloves, and a suitable respirator. Ensure adequate ventilation.
How is Pentafluorophenyl isocyanate packed, shipped, and exported?
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Pentafluorophenyl isocyanate is packed and shipped according to international regulations for hazardous materials (UN 2206, Class 6.1, PG 3). Tech Serve Solutions is a global supplier and exporter, capable of meeting diverse shipping requirements.
How can I request a sample or quote for Pentafluorophenyl isocyanate?
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To request a sample or quote, please contact the Tech Serve Solutions sales team through our website or by calling our main office. Please specify the quantity and your delivery location.
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