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Ethyl 4-ethynylbenzoate(CAS: 10602-03-6)

Ethyl 4-ethynylbenzoate
CAS Number

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Basic Information

Molecular Formula
C11H10O2
Molecular Weight
164.2 g/mol

Physical Properties

Melting Point
28 ºC
Boiling Point
257.1±23.0 ºC (760 Torr),
Flash Point
101.0±20.0 ºC,

Chemical Identifiers

SMILES
CCOC(=O)C1=CC=C(C=C1)C#C
InChIKey
CKAGLAFXBLZHAS-UHFFFAOYSA-N

Database References

MDL Number
MFCD00168821

FAQ

Ethyl 4-ethynylbenzoate (CAS: 10602-03-6) is a crystalline solid with a molecular weight of approximately 160.22 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive than other similar compounds due to the presence of the vinyl group, which can participate in electrophilic addition reactions.
Ethyl 4-ethynylbenzoate is typically synthesized via the Grignard reaction. Ethyl magnesium bromide reacts with benzoic anhydride to form the desired product. The reaction is carried out in anhydrous ether, and the yield can be improved by using high-purity reagents and maintaining an inert atmosphere.
Ethyl 4-ethynylbenzoate (CAS: 10602-03-6) is used in the pharmaceutical industry for the synthesis of certain drugs due to its ethynyl group, which can participate in bioorthogonal reactions. It is also utilized in the polymer industry for the preparation of novel materials with specific properties.
When handling Ethyl 4-ethynylbenzoate (CAS: 10602-03-6), ensure that you wear appropriate personal protective equipment, including gloves and safety goggles. Work in a well-ventilated area or fume hood to minimize exposure. Keep the compound away from heat and ignition sources. In case of a spill, handle it according to the Material Safety Data Sheet (SDS) guidelines.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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