3-(3-Chlorophenyl)-2-propynoic acid(CAS: 7396-28-3)

CAS Number
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Basic Information
Molecular Formula
C9H5ClO2
Molecular Weight
60.05 g/mol
Physical Properties
Boiling Point
345.1°C at 760 mmHg
Density
1.4
Flash Point
162.5°C
Chemical Identifiers
SMILES
C1=CC(=CC(=C1)Cl)C#CC(=O)O
InChIKey
FRTZPNZKFMZQDR-UHFFFAOYSA-N
Database References
MDL Number
MFCD14707279
FAQ
3-(3-Chlorophenyl)-2-propynoic acid (CAS: 7396-28-3) is a crystalline solid with a molecular weight of approximately 189.63 g/mol. It is slightly soluble in water and has a pKa value of around 4.2. The compound is reactive toward nucleophiles and can undergo electrophilic addition reactions. It is also susceptible to hydrolysis under basic conditions.
3-(3-Chlorophenyl)-2-propynoic acid is typically synthesized by reacting 3-chlorophenyllithium with acetylene followed by acid workup. The reaction is carried out in tetrahydrofuran (THF) at low temperature, and the yield is generally high, around 70-80%. Palladium catalysis can be used to improve selectivity and yield.
3-(3-Chlorophenyl)-2-propynoic acid (CAS: 7396-28-3) is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the polymer industry for the preparation of functional polymers, and in the sensor industry for the development of chemical sensors. Applications in semiconductors are less common but can be found in specific processes.
What precautions should be taken when handling 3-(3-Chlorophenyl)-2-propynoic acid (CAS: 7396-28-3)?
When handling 3-(3-Chlorophenyl)-2-propynoic acid (CAS: 7396-28-3), it is important to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be stored in a well-ventilated area, and fume hoods should be used during handling. In case of a spill, clean up with appropriate absorbent material and dispose of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling instructions 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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