3-(Trifluoromethyl)phenyl isocyanate
3-(Trifluoromethyl)phenyl isocyanate (CAS: 329-01-1; CF3C6H4NCO) is a chemical compound with a molecular weight of 187.12 g/mol. This organofluorine compound is characterised by its isocyanate functional group, making it a reactive intermediate. It is primarily utilised in organic synthesis for the preparation of various derivatives and as a building block in the development of novel chemical entities for research and development purposes.
- IUPAC
- α,α,α-Trifluoro-m-tolyl isocyanate
- Synonyms
- α,α,α-Trifluoro-m-tolyl isocyanate
Organic Synthesis Intermediate
Serves as a key building block in the synthesis of complex organic molecules. Its reactive isocyanate group readily participates in addition reactions, enabling the formation of ureas, carbamates, and other functionalised compounds.
Pharmaceutical Research
Utilised in the development of new pharmaceutical agents. The trifluoromethylphenyl moiety can impart desirable pharmacokinetic properties to drug candidates, and the isocyanate function allows for facile derivatisation.
Agrochemical Development
A valuable intermediate in the creation of new agrochemicals, such as pesticides and herbicides. Its structure can be incorporated into molecules designed for specific biological activity.
Material Science
Can be employed in the synthesis of specialised polymers and materials. The incorporation of trifluoromethyl groups can influence material properties like thermal stability and hydrophobicity.
| Molecular weight | 187.12 |
|---|---|
| Linear formula | CF3C6H4NCO |
| Assay | 97% |
| Boiling point | 54 °C/11 mmHg(lit.) |
| Density | 1.359 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.467(lit.) |
| Vapour pressure | 2.44 psi (20 °C) |
| Storage temperature | 2-8°C |
Hazard statements
- H226Flammable liquid and vapour
- H302Harmful if swallowed
- H315Causes skin irritation
- H317May cause an allergic skin reaction
- H330Fatal if inhaled
- H334May cause allergy or asthma symptoms if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P260Do not breathe dust, fume, gas, mist, vapours or spray
- P280Wear protective gloves, clothing and eye/face protection
- P284Wear respiratory protection
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 58 °C / 136.4 °F |
| Transport (UN / ADR) | UN 3384 3(6.1) / PGI |
| Water hazard class (WGK, DE) | 2 |
| Hazard codes (EU) | T+ |
| Risk statements (R) | 22-26-37/38-42 |
| Safety statements (S) | 23-28-36/37-45 |
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-(Trifluoromethyl)phenyl isocyanate used for?
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3-(Trifluoromethyl)phenyl isocyanate is primarily used as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialised materials. Its reactive isocyanate group allows for the creation of various derivatives.
What is the CAS number and formula for 3-(Trifluoromethyl)phenyl isocyanate?
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The CAS number for 3-(Trifluoromethyl)phenyl isocyanate is 329-01-1, and its chemical formula is CF3C6H4NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-(Trifluoromethyl)phenyl isocyanate with a minimum assay of 97%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
How should 3-(Trifluoromethyl)phenyl isocyanate be handled safely?
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3-(Trifluoromethyl)phenyl isocyanate is a dangerous substance. It is flammable and toxic if inhaled, swallowed, or in contact with skin. It can cause severe skin and eye irritation and may cause respiratory irritation or allergic skin reactions. Handle with extreme caution in a well-ventilated area, using appropriate personal protective equipment, including gloves, eye protection, and a suitable respirator. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.
How is 3-(Trifluoromethyl)phenyl isocyanate packed, shipped, and exported?
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3-(Trifluoromethyl)phenyl isocyanate is carefully packed according to regulatory standards for hazardous materials. Tech Serve Solutions offers global export services, adhering to all international shipping regulations for chemicals.
How can I request a quote or sample for 3-(Trifluoromethyl)phenyl isocyanate?
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To request a quote or a sample of 3-(Trifluoromethyl)phenyl isocyanate, please contact our sales team through the website or by calling our main office. Please specify the quantity required.
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