Ethyl 4,4,4-trifluorobutyrate
Ethyl 4,4,4-trifluorobutyrate (CAS 371-26-6) is a fluorinated ester with the linear formula C6H9F3O2 and a molecular weight of 170.13 g/mol. This compound serves as a valuable building block in organic synthesis. It is employed in the creation of novel spin trapping reagents and in the development of potential pharmaceutical candidates, highlighting its utility in both analytical and synthetic chemistry research.
- Synonyms
- 371-26-6CF3CH2CH2CO2C2H5
Spin Trapping Reagent Synthesis
This ester is a precursor in the preparation of spin traps, such as 5,5-dimethyl-2-(trifluoromethyl)-1-pyrroline N-oxide, which are crucial tools in Electron Spin Resonance (ESR/EPR) spectroscopy for studying radical species.
Pharmaceutical Intermediate
Ethyl 4,4,4-trifluorobutyrate is utilised in the synthesis of complex organic molecules, including novel benzylindolecarboxamides investigated for their potential as leukotriene D4 and E4 antagonists.
Organic Building Block
Its trifluoromethyl group and ester functionality make it a versatile building block for introducing fluorinated moieties into various organic structures, useful in medicinal chemistry and materials science.
| Molecular weight | 170.13 |
|---|---|
| Linear formula | CF3CH2CH2CO2C2H5 |
| Assay | ≥98% |
| Boiling point | 127 °C(lit.) |
| Density | 1.16 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.3516(lit.) |
| Application | Applications include the preparation and study of 5,5-dimethyl-2-(trifluoromethyl)-1-pyrroline N-oxide, a new spin trap,1 and the synthesis of a series of novel benzylindolecarboxamides as leukotriene D4 and E4 antagonists.2 |
Hazard statements
- H226Flammable liquid and vapour
- H302Harmful if swallowed
- H312Harmful in contact with skin
- 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 | 33 °C / 91.4 °F |
| Transport (UN / ADR) | UN 3272 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-20/21/22-36/37 |
| Safety statements (S) | 16-26-36 |
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 Ethyl 4,4,4-trifluorobutyrate used for?
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Ethyl 4,4,4-trifluorobutyrate is primarily used as a building block in organic synthesis, particularly in the preparation of spin trapping reagents for ESR spectroscopy and as an intermediate in the development of potential pharmaceuticals.
What is the CAS number and formula for Ethyl 4,4,4-trifluorobutyrate?
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The CAS number is 371-26-6 and the linear formula is CF3CH2CH2CO2C2H5. The molecular weight is 170.13 g/mol.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Ethyl 4,4,4-trifluorobutyrate with a purity of ≥98%. We do not represent this product as USP, BP, or EP grade.
How should Ethyl 4,4,4-trifluorobutyrate be handled safely?
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Ethyl 4,4,4-trifluorobutyrate is a flammable liquid and vapour (H226), and harmful if swallowed, in contact with skin, or if inhaled (H302, H312, H332). It can cause serious eye irritation (H319) and may cause respiratory irritation (H335). Always use appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, and handle in a well-ventilated area away from ignition sources.
How is Ethyl 4,4,4-trifluorobutyrate packed, shipped, and exported?
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We offer various packing options to meet customer requirements for safe transportation and storage. As a global supplier, Tech Serve Solutions exports chemicals worldwide, adhering to all relevant shipping regulations.
How can I request a sample or a quote for Ethyl 4,4,4-trifluorobutyrate?
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To request a sample or a quote, please contact our sales team via the website or provide your details through our online inquiry form. Specify the quantity and your delivery location.
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