1,1,1-Trifluoro-2-butanone
1,1,1-Trifluoro-2-butanone (CAS 381-88-4), with the linear formula CF3COC2H5 and a molecular weight of 126.08 g/mol, is a fluorinated ketone. This compound serves as a versatile building block in organic synthesis. Its reactive carbonyl group and trifluoromethyl moiety make it valuable for introducing fluorine into organic molecules, finding utility in the development of pharmaceuticals and agrochemicals, as well as in materials science.
- Synonyms
- 381-88-4CF3COC2H5
Fluorinated Organic Synthesis
1,1,1-Trifluoro-2-butanone is employed as a key intermediate for the synthesis of more complex fluorinated organic compounds. It allows for the regioselective introduction of the trifluoroethyl group into various molecular scaffolds.
Pharmaceutical Intermediates
This trifluoromethyl ketone is utilised in the preparation of novel pharmaceutical agents. The incorporation of fluorine can significantly alter a drug candidate's metabolic stability, lipophilicity, and binding affinity.
Agrochemical Development
The compound serves as a building block in the synthesis of agrochemicals, including herbicides and pesticides. Fluorinated molecules often exhibit enhanced biological activity and environmental persistence.
Materials Science Research
1,1,1-Trifluoro-2-butanone can be incorporated into polymers or used in the synthesis of functional materials where its unique electronic and physical properties are beneficial.
| Molecular weight | 126.08 |
|---|---|
| Linear formula | CF3COC2H5 |
| Assay | 95% |
| Boiling point | 50-51 °C(lit.) |
| Density | 0.929 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.322(lit.) |
Hazard statements
- H225Highly flammable liquid and vapour
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) |
|---|---|
| Flash point | -17 °C / 1.4 °F |
| Transport (UN / ADR) | UN 1224BE 3 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | F |
| Risk statements (R) | 11 |
| Safety statements (S) | 9-16-29-33 |
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 1,1,1-Trifluoro-2-butanone used for?
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1,1,1-Trifluoro-2-butanone is primarily used as a building block in organic synthesis, particularly for introducing trifluoromethyl groups into molecules. It is valuable in the development of pharmaceuticals, agrochemicals, and materials.
What is the CAS number and formula for 1,1,1-Trifluoro-2-butanone?
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The CAS number is 381-88-4 and the linear formula is CF3COC2H5.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1,1,1-Trifluoro-2-butanone with an assay of 95%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
How is 1,1,1-Trifluoro-2-butanone supplied and exported?
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1,1,1-Trifluoro-2-butanone is supplied meeting specific safety requirements, including UN 1224BE 3 / PGII classification for transport. TSS is a global supplier and exporter of this chemical.
What are the primary safety hazards associated with 1,1,1-Trifluoro-2-butanone?
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1,1,1-Trifluoro-2-butanone is highly flammable (H225) and is classified as Danger. It requires careful handling in well-ventilated areas, away from ignition sources, and appropriate personal protective equipment, including eye protection and gloves.
How can I request a quote or sample of 1,1,1-Trifluoro-2-butanone?
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To request a quote or sample, please contact our sales department through the website or by phone. Provide your contact details and the quantity required.
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