1-Ethynyl-3,5-bis(trifluoromethyl)benzene
1-Ethynyl-3,5-bis(trifluoromethyl)benzene (CAS 88444-81-9) is a fluorinated aromatic compound with the molecular formula CH≡CC₆H₃(CF₃)₂ and a molar mass of 238.13 g/mol. Characterised by its terminal alkyne and two trifluoromethyl groups, it serves as a versatile building block in organic synthesis, particularly for creating complex fluorinated molecules. Its applications span materials science and the development of novel chemical entities.
- Synonyms
- CH≡CC6H3(CF3)2
Organic Synthesis Reagent
This compound functions as a key intermediate in the synthesis of complex organic molecules. The presence of the ethynyl group allows for participation in various coupling reactions, while the trifluoromethyl substituents can influence the electronic and physical properties of the resulting products.
Fluorinated Materials Development
The incorporation of trifluoromethyl groups is crucial for developing advanced materials with specific properties such as thermal stability and altered solubility. 1-Ethynyl-3,5-bis(trifluoromethyl)benzene is utilized in research and development for novel fluorinated polymers and specialised organic materials.
Pharmaceutical Intermediate Research
As a building block containing fluorine atoms, this chemical is of interest in medicinal chemistry research. Fluorine substitution can profoundly impact a drug candidate's metabolic stability, lipophilicity, and binding affinity, making it valuable in the early stages of drug discovery.
| Molecular weight | 238.13 |
|---|---|
| Linear formula | CH≡CC6H3(CF3)2 |
| Assay | 97% |
| Boiling point | 147-148 °C(lit.) |
| Density | 1.346 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.4230(lit.) |
Hazard statements
- H226Flammable liquid and vapour
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- 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 | 44 °C / 111.2 °F |
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 10-36/37/38 |
| 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 1-Ethynyl-3,5-bis(trifluoromethyl)benzene used for?
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1-Ethynyl-3,5-bis(trifluoromethyl)benzene is primarily used as a versatile building block in organic synthesis, particularly for creating complex fluorinated molecules in materials science and pharmaceutical research.
What is the CAS number and formula for this product?
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The CAS number is 88444-81-9 and the linear formula is CH≡CC₆H₃(CF₃)₂.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-Ethynyl-3,5-bis(trifluoromethyl)benzene with an assay of 97%. This product is supplied for research and manufacturing purposes and is not represented as USP, BP, EP, or other pharmacopoeia grades.
How should 1-Ethynyl-3,5-bis(trifluoromethyl)benzene be handled?
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This compound is a flammable liquid and vapour (H226), 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 suitable respiratory protection, in a well-ventilated area away from ignition sources.
Is this product available for international export?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals and can handle international shipments of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene.
How can I request a sample or quote?
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To request a sample or a quote for 1-Ethynyl-3,5-bis(trifluoromethyl)benzene, please contact our sales team through the website or by phone.
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