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1-Ethynyl-4-isopropylbenzene(CAS: 23152-99-0)

1-Ethynyl-4-isopropylbenzene
CAS Number

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Basic Information

Molecular Formula
C11H12
Molecular Weight
144.21 g/mol

Physical Properties

Boiling Point
193.8±19.0 ºC (760 Torr),
Flash Point
60.3±15.6 ºC,

Chemical Identifiers

SMILES
CC(C)C1=CC=C(C=C1)C#C
InChIKey
CODCGGILXPHCLE-UHFFFAOYSA-N

Database References

MDL Number
MFCD03839988

FAQ

1-Ethynyl-4-isopropylbenzene is a crystalline solid with a molecular weight of approximately 160.21 g/mol. It has a low solubility in water but is more soluble in organic solvents. Chemically, it is less reactive than its parent compound due to the presence of the vinyl group, which can participate in electrophilic aromatic substitution. It is stable under normal conditions but may react with strong bases or acids.
1-Ethynyl-4-isopropylbenzene is commonly synthesized via the Friedel-Crafts alkylation of toluene with propargyl bromide in the presence of aluminum chloride as a catalyst. The process yields a mixture of isomers, with the desired compound being the major product. The reaction is carried out at high temperatures to ensure selectivity and high yield.
1-Ethynyl-4-isopropylbenzene finds applications in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also used in the production of polymers and as a precursor for sensors and semiconductor materials due to its unique electronic properties.
When handling 1-Ethynyl-4-isopropylbenzene, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up with appropriate absorbents and the material safety data sheet (MSDS) should be consulted for specific instructions. Storage should be in a cool, dry place away from direct sunlight and sources of heat.

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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