3-Fluorophenyl isocyanate
3-Fluorophenyl isocyanate (CAS: 404-71-7; Formula: FC6H4NCO; MW: 137.11) is a fluorinated aromatic isocyanate. It serves as a valuable building block in organic synthesis. This compound is primarily utilised in the development of novel chemical entities, pharmaceuticals, and agrochemicals, owing to the reactivity of the isocyanate group and the influence of the fluorine atom on molecular properties. Its applications span diverse areas of chemical research and development.
Organic Synthesis Intermediate
3-Fluorophenyl isocyanate acts as a key intermediate in the synthesis of various organic compounds. Its isocyanate functionality readily reacts with nucleophiles like alcohols, amines, and thiols, enabling the formation of carbamates, ureas, and thiocarbamates, respectively.
Pharmaceutical Research
This fluorinated isocyanate is employed in the discovery and development of new pharmaceutical agents. The incorporation of a fluorine atom can significantly alter a drug candidate's pharmacokinetic and pharmacodynamic properties, such as metabolic stability and binding affinity.
Agrochemical Development
It finds use in the creation of novel agrochemicals, including herbicides, insecticides, and fungicides. The unique electronic effects of the fluorophenyl group can enhance the efficacy and selectivity of crop protection agents.
Material Science
3-Fluorophenyl isocyanate can be incorporated into polymers and other advanced materials. The resulting materials may exhibit enhanced thermal stability, chemical resistance, or specific optical properties due to the presence of the fluorinated aromatic moiety.
| Molecular weight | 137.11 |
|---|---|
| Linear formula | FC6H4NCO |
| Assay | 97% |
| Density | 1.201 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.514(lit.) |
| Storage temperature | 2-8°C |
Hazard statements
- H226Flammable liquid and vapour
- 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 | 42 °C / 107.6 °F |
| Transport (UN / ADR) | UN 3080 6.1/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-20/21/22-36/37/38 |
| 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-Fluorophenyl isocyanate used for?
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3-Fluorophenyl isocyanate is used as a versatile building block in organic synthesis, particularly in the pharmaceutical, agrochemical, and material science industries for the development of new chemical entities and advanced materials.
What is the CAS number and chemical formula for 3-Fluorophenyl isocyanate?
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The CAS number is 404-71-7 and the chemical formula is FC6H4NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Fluorophenyl isocyanate with an assay of 97%. We do not represent this product as USP, BP, or EP grade.
How should 3-Fluorophenyl isocyanate be handled safely?
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Handling 3-Fluorophenyl isocyanate requires appropriate personal protective equipment, including eyeshields, face shields, and chemical-resistant gloves. It is flammable (Flash Point: 42 °C) and harmful if swallowed, inhaled, or absorbed through the skin, causing irritation to the skin, eyes, and respiratory tract. Work in a well-ventilated area or fume hood.
How is 3-Fluorophenyl isocyanate packed and shipped?
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3-Fluorophenyl isocyanate is packed according to industry standards for hazardous materials and can be shipped and exported globally by Tech Serve Solutions. Please contact us for specific shipping details.
How can I request a quote or sample of 3-Fluorophenyl isocyanate?
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To request a quote or a sample of 3-Fluorophenyl isocyanate, please contact the Tech Serve Solutions sales team through our website or by phone.
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