4-Fluorobenzotrifluoride
4-Fluorobenzotrifluoride (CAS: 402-44-8; Formula: FC6H4CF3; Molar Mass: 164.10 g/mol) is a halogenated aromatic compound supplied by TSS with an assay of 98%. This fluorinated building block serves as a key intermediate in the synthesis of various complex organic molecules, including pharmaceuticals and speciality chemicals. Its reactive nature and specific structural features make it a valuable reagent in organic synthesis, contributing to the development of advanced materials and active pharmaceutical ingredients.
- IUPAC
- α,α,α,4-Tetrafluorotoluene
Synthesis of Aryloxybiphenyl Derivatives
4-Fluorobenzotrifluoride is employed in nucleophilic aromatic substitution reactions, such as its use in the synthesis of 2,2′-bis(trifluoromethylphenoxy)biphenyl with 2,2′-biphenol.
Intermediate for Fluoxetine Production
This compound has been utilised in the synthetic pathway towards (S)-fluoxetine, a well-known potent inhibitor of neuronal serotonin-uptake, highlighting its pharmaceutical relevance.
Building Block for Tetrahydronaphthalene Derivatives
It serves as a precursor in the preparation of 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives, demonstrating its utility in creating diverse chemical structures.
| Molecular weight | 164.10 |
|---|---|
| Linear formula | FC6H4CF3 |
| Assay | 98% |
| Boiling point | 102-105 °C(lit.) |
| Density | 1.293 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.401(lit.) |
| Application | 4-Fluorobenzotrifluoride was used in the synthesis of:• 2,2′-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2′-biphenol1• (S)-fluoxetine, potent inhibitor of neuronal serotonin-uptake2• 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives3 |
| Melting point | −42-−41.7 °C(lit.) |
Hazard statements
- H225Highly flammable liquid and vapour
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
- P261Avoid breathing dust, fume, gas or vapours
- 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 | 11 °C / 51.8 °F |
| Transport (UN / ADR) | UN 1993BF 3 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | F,Xi |
| Risk statements (R) | 11-36/37/38 |
| Safety statements (S) | 16-26-33 |
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 4-Fluorobenzotrifluoride used for?
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4-Fluorobenzotrifluoride is used as a chemical intermediate in the synthesis of various organic compounds, including pharmaceuticals and speciality chemicals like 2,2′-bis(trifluoromethylphenoxy)biphenyl, (S)-fluoxetine, and certain tetrahydronaphthalene derivatives.
What are the CAS number and formula for 4-Fluorobenzotrifluoride?
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The CAS number for 4-Fluorobenzotrifluoride is 402-44-8, and its linear formula is FC6H4CF3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 4-Fluorobenzotrifluoride with an assay of 98%. We do not represent this product as USP, BP, or EP grade.
What are the main safety hazards associated with 4-Fluorobenzotrifluoride?
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4-Fluorobenzotrifluoride is a flammable liquid and vapour (H225), and causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, and ensure good ventilation.
How is 4-Fluorobenzotrifluoride packed, shipped, and exported?
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4-Fluorobenzotrifluoride is packed and shipped in compliance with all relevant transport regulations, including its classification as UN 1993, Flammable liquid, n.o.s. (4-Fluorobenzotrifluoride), Class 3, Packing Group II. TSS exports globally.
How can I request a sample or quote for 4-Fluorobenzotrifluoride?
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To request a sample or a quotation for 4-Fluorobenzotrifluoride, please contact our sales team through the TSS website or by phone, providing your specific requirements.
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