3-Ethynyl-α,α,α-trifluorotoluene
3-Ethynyl-α,α,α-trifluorotoluene (CAS: 705-28-2) is a halogenated alkynyl building block with the linear formula HC≡CC<sub>6</sub>H<sub>4</sub>CF<sub>3</sub> and a molecular weight of 170.13 g/mol. It is primarily utilised in organic synthesis and chemical research as a versatile intermediate. Its reactive ethynyl group and trifluoromethyl-substituted phenyl ring allow for diverse chemical transformations in the development of novel compounds.
- Synonyms
- 705-28-2HC≡CC6H4CF3
Organic Synthesis Intermediate
This compound serves as a valuable building block in the synthesis of complex organic molecules. Its alkynyl functionality is amenable to various coupling reactions and cycloadditions.
Chemical Research
Used in research and development laboratories for exploring new chemical pathways and designing novel materials. The trifluoromethyl group can impart unique electronic and lipophilic properties.
Pharmaceutical Intermediate
Potential applications in the synthesis of pharmaceutical agents, where the trifluorotoluene moiety may contribute to binding affinity or metabolic stability.
| Molecular weight | 170.13 |
|---|---|
| Linear formula | HC≡CC6H4CF3 |
| Assay | 97% |
| Boiling point | 146 °C(lit.) |
| Density | 1.178 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.464(lit.) |
Hazard statements
- H225Highly flammable liquid and vapour
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H332Harmful if inhaled
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
- P280Wear protective gloves, clothing and eye/face protection
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 21 °C / 69.8 °F |
| Transport (UN / ADR) | UN 1993BF 3 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-20/21/22 |
| Safety statements (S) | 16-26-36-45 |
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-Ethynyl-α,α,α-trifluorotoluene used for?
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3-Ethynyl-α,α,α-trifluorotoluene is primarily used as a versatile building block in organic synthesis and chemical research. It is also explored as an intermediate in the development of pharmaceuticals.
What is the CAS number and formula for 3-Ethynyl-α,α,α-trifluorotoluene?
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The CAS number is 705-28-2, and the linear formula is HC≡CC<sub>6</sub>H<sub>4</sub>CF<sub>3</sub>.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Ethynyl-α,α,α-trifluorotoluene with an assay of 97%. We do not represent this product as USP, BP, or EP grade.
How should 3-Ethynyl-α,α,α-trifluorotoluene be handled?
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This compound is flammable and harmful if swallowed, inhaled, or in contact with skin. Handling requires appropriate personal protective equipment, including safety glasses, gloves, and respiratory protection, in a well-ventilated area. Consult the Safety Data Sheet for full details.
Is 3-Ethynyl-α,α,α-trifluorotoluene a controlled substance?
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Based on the provided data, 3-Ethynyl-α,α,α-trifluorotoluene is not indicated as a controlled substance. Please verify local regulations for specific compliance.
How is 3-Ethynyl-α,α,α-trifluorotoluene packed and shipped?
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3-Ethynyl-α,α,α-trifluorotoluene is packed according to safety regulations for hazardous materials, including UN 1993, Class 3, Packing Group II. TSS exports chemicals globally, adhering to all shipping and customs requirements.
How can I request a quote or sample for 3-Ethynyl-α,α,α-trifluorotoluene?
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Please contact our sales department via the website or by phone to request a quote or a sample of 3-Ethynyl-α,α,α-trifluorotoluene.
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