1-Allyl-4-(trifluoromethyl)benzene
1-Allyl-4-(trifluoromethyl)benzene (CAS 1813-97-4), with the molecular formula C10H9F3 and a molecular weight of 186.17 g/mol, is a specialised organic building block. This trifluoromethylated aromatic compound serves as a valuable reactant in advanced organic synthesis. It is particularly useful in stereoselective and regioselective transformations, facilitating the preparation of complex molecules. Supplied by Tech Serve Solutions, it is available for research and chemical manufacturing.
- IUPAC
- 4-(Trifluoromethyl)allylbenzene,4-Allylbenzotrifluoride
- Synonyms
- 4-(Trifluoromethyl)allylbenzene4-Allylbenzotrifluoride
Stereoselective Synthesis of Alkenyl Nitriles
Utilised as a key reactant in the FeCl2-catalyzed oxidation for the stereoselective preparation of alkenyl nitriles, enabling precise control over product stereochemistry in organic synthesis.
Regioselective C-H Alkylation
Employed in regioselective intermolecular allylic C-H alkylation reactions, catalysed by bis-sulfoxide/Pd(OAc)2 systems, to introduce allyl groups selectively onto various substrates.
Organic Synthesis Building Block
Serves as a versatile building block in organic chemistry, incorporating both an allyl group and a trifluoromethyl-substituted phenyl ring into target molecules for diverse chemical applications.
| Molecular weight | 186.17 |
|---|---|
| Empirical formula | C10H9F3 |
| Assay | 95% |
| Density | 1.112 g/mL at 25 °C |
| Refractive index | n20/D 1.449 |
| Application | Reactant for:• Stereoselective preparation of alkenyl nitriles via FeCl2-catalyzed oxidation1• Regioselective intermolecular allylic C-H alkylation with bis-sulfoxide/Pd(OAc)2 catalyst2 |
Hazard statements
- H226Flammable liquid and vapour
- H302Harmful if swallowed
| Flash point | 54 °C / 129.2 °F |
|---|---|
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-22 |
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 1-Allyl-4-(trifluoromethyl)benzene primarily used for?
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1-Allyl-4-(trifluoromethyl)benzene is primarily used as a reactant in organic synthesis, notably for the stereoselective preparation of alkenyl nitriles and in regioselective allylic C-H alkylation reactions.
What are the CAS number and chemical formula for 1-Allyl-4-(trifluoromethyl)benzene?
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The CAS number is 1813-97-4 and the empirical formula (Hill Notation) is C10H9F3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-Allyl-4-(trifluoromethyl)benzene with an assay of 95%. This product is supplied for research and manufacturing purposes and is not represented as USP, BP, EP, or other pharmacopoeial grades.
What are the main safety hazards associated with 1-Allyl-4-(trifluoromethyl)benzene?
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1-Allyl-4-(trifluoromethyl)benzene is a flammable liquid and vapour (H226) and is harmful if swallowed (H302). It requires careful handling in well-ventilated areas, away from ignition sources, and appropriate personal protective equipment should be used.
Can I request a sample or quote for 1-Allyl-4-(trifluoromethyl)benzene?
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Yes, you can request a sample or obtain a quote for 1-Allyl-4-(trifluoromethyl)benzene by contacting our sales team through the website or by calling us directly.
How is 1-Allyl-4-(trifluoromethyl)benzene shipped and exported?
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1-Allyl-4-(trifluoromethyl)benzene is shipped and exported in compliance with international regulations for hazardous materials, classified under UN 1993. Please contact us for specific shipping and export details for your region.
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