3-(Trifluoromethylthio)phenyl isocyanate
3-(Trifluoromethylthio)phenyl isocyanate (CAS: 55225-88-2), with the molecular formula CF3SC6H4NCO and a molecular weight of 219.18 g/mol, is a valuable organic building block. This compound serves as a reactive intermediate in the synthesis of diverse chemical structures. Its isocyanate group readily participates in addition reactions, making it a key component in the development of specialised chemicals and materials.

Organic Synthesis Intermediate
Utilised as a versatile building block in organic synthesis for creating complex molecules. The trifluoromethylthio and isocyanate functionalities allow for diverse chemical transformations.
Pharmaceutical Research
Can be employed in the discovery and development of new pharmaceutical agents. Its unique structure may contribute to novel drug candidates.
Material Science
Serves as a monomer or intermediate in the development of novel polymers and functional materials. The incorporation of the trifluoromethylthio group can impart specific properties.
| Molecular weight | 219.18 |
|---|---|
| Linear formula | CF3SC6H4NCO |
| Assay | 98% |
| Boiling point | 45 °C/0.01 mmHg(lit.) |
| Density | 1.365 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.506(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 | 92 °C / 197.6 °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) | 26-36/37/39 |
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-(Trifluoromethylthio)phenyl isocyanate used for?
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3-(Trifluoromethylthio)phenyl isocyanate is primarily used as a building block and intermediate in organic synthesis, potentially for applications in pharmaceutical research and material science.
What is the CAS number and formula for 3-(Trifluoromethylthio)phenyl isocyanate?
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The CAS number is 55225-88-2, and the molecular formula is CF3SC6H4NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-(Trifluoromethylthio)phenyl isocyanate with a minimum assay of 98%. TSS does not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
What are the main hazards associated with 3-(Trifluoromethylthio)phenyl isocyanate?
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This compound is classified with Warning signal word and is harmful if swallowed, in contact with skin, and if inhaled (H302, H312, H332). It also causes skin irritation, serious eye irritation, and respiratory irritation (H315, H319, H335).
How is 3-(Trifluoromethylthio)phenyl isocyanate shipped and exported?
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3-(Trifluoromethylthio)phenyl isocyanate is shipped under UN 2206, Hazard Class 6.1, Packing Group III. As a global supplier, Tech Serve Solutions adheres to all relevant shipping and export regulations.
How can I request a quote or sample?
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Please contact the Tech Serve Solutions sales team via our website or direct contact details to request a quote or sample for 3-(Trifluoromethylthio)phenyl isocyanate.
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