3-(Trifluoromethylthio)phenyl isothiocyanate
3-(Trifluoromethylthio)phenyl isothiocyanate (CAS 42729-26-0) is a specialized organic compound with the molecular formula CF3SC6H4NCS and a molar mass of 235.25 g/mol. This chemical serves as a valuable building block in organic synthesis, particularly within the fields of chemical research and development. Its unique trifluoromethylthio and isothiocyanate functionalities make it a useful intermediate for creating more complex molecules.
Organic Synthesis Intermediate
This compound functions as a versatile intermediate in the synthesis of diverse organic molecules. Its reactive isothiocyanate group allows for facile derivatization and incorporation into various chemical structures.
Research and Development
Utilised in laboratory settings for exploring new chemical reactions and developing novel compounds. Its structural features are of interest for medicinal chemistry and materials science research.
Building Block for Heterocycles
The isothiocyanate moiety is a key functional group for the construction of sulfur- and nitrogen-containing heterocyclic compounds, which are prevalent in pharmaceuticals and agrochemicals.
| Molecular weight | 235.25 |
|---|---|
| Linear formula | CF3SC6H4NCS |
| Assay | 97% |
| Boiling point | 230-244 °C(lit.) |
| Density | 1.37 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.586(lit.) |
Hazard statements
- H314Causes severe skin burns and eye damage
Precautionary statements
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 110 °C / 230 °F |
| Transport (UN / ADR) | UN 1760 8 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 34 |
| 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-(Trifluoromethylthio)phenyl isothiocyanate used for?
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3-(Trifluoromethylthio)phenyl isothiocyanate is primarily used as a building block and intermediate in organic synthesis for research and development purposes.
What are the CAS number and chemical formula for this compound?
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The CAS number is 42729-26-0, and the chemical formula is CF3SC6H4NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-(Trifluoromethylthio)phenyl isothiocyanate with an assay of 97%. This product is not classified as USP, BP, or EP grade.
How should 3-(Trifluoromethylthio)phenyl isothiocyanate be handled safely?
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This compound is classified as corrosive and causes severe skin burns and eye damage (H314). It requires handling with appropriate personal protective equipment, including face shields, goggles, gloves, and suitable respiratory protection, in a well-ventilated area.
Is this chemical suitable for export?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 3-(Trifluoromethylthio)phenyl isothiocyanate, adhering to all necessary shipping regulations.
How can I request a sample or a quote?
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To request a sample or a quote for 3-(Trifluoromethylthio)phenyl isothiocyanate, please contact our sales department through the website or by phone, providing your specific requirements.
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