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5-Ethynyl-2-benzofuran-1,3-dione(CAS: 73819-76-8)

5-Ethynyl-2-benzofuran-1,3-dione
CAS Number

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Basic Information

Molecular Formula
C10H4O3
Molecular Weight
172.14 g/mol

Physical Properties

Melting Point
123.0 to 127.0 deg-C
Boiling Point
352.4°C at 760 mmHg
Density
1.41±0.1 g/cm3 (20 ºC 760 Torr),

Chemical Identifiers

SMILES
C#CC1=CC2=C(C=C1)C(=O)OC2=O
InChIKey
DXJLXGJIZZNCBO-UHFFFAOYSA-N

Database References

MDL Number
MFCD06200801

FAQ

5-Ethynyl-2-benzofuran-1,3-dione is a crystalline solid with a molecular weight of approximately 216.23 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound exhibits strong reactivity towards nucleophiles and can undergo electrophilic aromatic substitution reactions. It has a melting point of around 190-193°C.
5-Ethynyl-2-benzofuran-1,3-dione is commonly synthesized via a multi-step process involving the formation of a benzofuran ring followed by alkylation and acylation. The reaction typically uses acetic anhydride and ethynylbenzene as the key reagents, with a Lewis acid like aluminum chloride as a catalyst. The yield is generally around 70-80%.
5-Ethynyl-2-benzofuran-1,3-dione finds applications in various industries, particularly in pharmaceuticals for its potential as a scaffold for drug discovery, in polymer science for its use as a monomer, and in sensors due to its photochemical properties. It is also used in the semiconductor industry for specific applications requiring aromatic compounds.
When handling 5-Ethynyl-2-benzofuran-1,3-dione, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood to avoid inhalation or skin contact. In case of spills, evacuate the area and clean up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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