3,4-Difluorophenyl isocyanate
3,4-Difluorophenyl isocyanate (CAS 42601-04-7) is a fluorinated aromatic compound with the molecular formula F₂C₆H₃NCO and a molecular weight of 155.10 g/mol. This chemical serves as a valuable intermediate and building block in organic synthesis. It is particularly useful in the creation of complex molecules for pharmaceutical research and materials science due to the presence of the reactive isocyanate group and the electron-withdrawing fluorine atoms.
- Synonyms
- F2C6H3NCO
Pharmaceutical Intermediate
3,4-Difluorophenyl isocyanate is utilised in the synthesis of active pharmaceutical ingredients (APIs) and drug discovery research. Its fluorinated aromatic structure can impart desirable properties to potential drug candidates.
Agrochemical Synthesis
This compound can be employed in the development of novel agrochemicals. The introduction of fluorine atoms can enhance the efficacy and metabolic stability of pesticides and herbicides.
Materials Science
The isocyanate functionality allows for polymerisation or modification of materials, potentially leading to specialised polymers or coatings with enhanced thermal or chemical resistance.
Organic Synthesis Reagent
As a versatile building block, it participates in various reactions such as nucleophilic additions, enabling the construction of diverse organic structures for research and development.
| Molecular weight | 155.10 |
|---|---|
| Linear formula | F2C6H3NCO |
| Assay | 97% |
| Boiling point | 164 °C(lit.) |
| Density | 1.326 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.498(lit.) |
Hazard statements
- 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 | 63 °C / 145.4 °F |
| Transport (UN / ADR) | UN 2206 6.1/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 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 3,4-Difluorophenyl isocyanate used for?
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3,4-Difluorophenyl isocyanate is primarily used as an intermediate and building block in organic synthesis, particularly for pharmaceuticals, agrochemicals, and materials science.
What is the CAS number and formula for 3,4-Difluorophenyl isocyanate?
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The CAS number is 42601-04-7 and the linear formula is F₂C₆H₃NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3,4-Difluorophenyl isocyanate with a minimum assay of 97%. This product is suitable for research and laboratory use. TSS does not represent this product as USP, BP, or EP grade.
How should 3,4-Difluorophenyl isocyanate be handled safely?
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3,4-Difluorophenyl isocyanate is harmful if swallowed, in contact with skin, or if inhaled. It causes skin and serious eye irritation, and may cause respiratory irritation. Always use appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, in a well-ventilated area. Refer to the Safety Data Sheet for full handling instructions.
How is 3,4-Difluorophenyl isocyanate packed, shipped, and exported?
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3,4-Difluorophenyl isocyanate is carefully packed according to international transport regulations for hazardous materials. TSS has extensive experience in exporting chemicals globally.
How can I request a sample or quote for 3,4-Difluorophenyl isocyanate?
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Please contact our sales department via the website or email to request a sample or a detailed quotation for 3,4-Difluorophenyl isocyanate.
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