3,5-Bis(trifluoromethyl)phenyl isocyanate
3,5-Bis(trifluoromethyl)phenyl isocyanate (CAS: 16588-74-2) is a specialized organic compound with the molecular formula (CF3)2C6H3NCO and a molecular weight of 255.12 g/mol. This clear liquid, identified by its isocyanate functional group and two trifluoromethyl substituents, serves as a versatile building block in chemical synthesis, particularly for introducing the 3,5-bis(trifluoromethyl)phenyl moiety into complex molecules.
- Synonyms
- (CF3)2C6H3NCO
Pharmaceutical Intermediate Synthesis
This compound is utilised in the synthesis of novel pharmaceutical agents. Its unique structure can be incorporated to modify the pharmacokinetic properties of drug candidates.
Agrochemical Development
3,5-Bis(trifluoromethyl)phenyl isocyanate finds application in the development of new pesticides and herbicides. The trifluoromethyl groups often enhance biological activity and metabolic stability.
Material Science Research
It can be used as a monomer or building block in the creation of advanced polymers and functional materials. The electron-withdrawing nature of the CF3 groups influences material properties.
Organic Synthesis Reagent
As a reactive isocyanate, it readily undergoes addition reactions with nucleophiles such as alcohols, amines, and thiols, facilitating the construction of diverse organic structures.
| Molecular weight | 255.12 |
|---|---|
| Linear formula | (CF3)2C6H3NCO |
| Assay | 98% |
| Density | 1.476 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.43(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 | 68 °C / 154.4 °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) | 23-26-27-28-36/37/39 |
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 3,5-Bis(trifluoromethyl)phenyl isocyanate used for?
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3,5-Bis(trifluoromethyl)phenyl isocyanate is primarily used as a building block in organic synthesis, finding applications in the development of pharmaceuticals, agrochemicals, and advanced materials. It facilitates the introduction of the 3,5-bis(trifluoromethyl)phenyl group into various organic molecules.
What are the CAS number and molecular formula for 3,5-Bis(trifluoromethyl)phenyl isocyanate?
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The CAS number for 3,5-Bis(trifluoromethyl)phenyl isocyanate is 16588-74-2, and its linear formula is (CF3)2C6H3NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3,5-Bis(trifluoromethyl)phenyl isocyanate with a minimum purity of 98%. TSS does not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
How should 3,5-Bis(trifluoromethyl)phenyl isocyanate be handled safely?
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Handling requires caution due to its hazards, including H302 (Harmful if swallowed), H312 (Harmful in contact with skin), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H332 (Harmful if inhaled), and H335 (May cause respiratory irritation). Use appropriate personal protective equipment, including eyeshields, face shields, gloves, and respiratory protection such as a multi-purpose combination respirator cartridge (US) or an ABEK (EN14387) respirator filter. Ensure adequate ventilation.
How is 3,5-Bis(trifluoromethyl)phenyl isocyanate packed and exported?
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This chemical is carefully packed according to transport regulations, including UN 2206 (Class 6.1, PG 3), and is available for export globally by Tech Serve Solutions.
How can I request a quote or sample?
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To request a quote or sample of 3,5-Bis(trifluoromethyl)phenyl isocyanate, please contact our sales department via the website or direct email, providing your contact details and the quantity required.
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