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Benzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-(CAS: 864725-62-2)

Benzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-
CAS Number

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Basic Information

Molecular Formula
C18H12Cl2F3NO3
Molecular Weight
418.19 g/mol

Chemical Identifiers

SMILES
C1=C(C=C(C=C1Cl)Cl)C1(ON=C(C2=CC(C)=C(C(=O)O)C=C2)C1)C(F)(F)F
InChIKey
KBWVSPGZOPXKRR-UHFFFAOYSA-N

FAQ

Benzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl- (CAS: 864725-62-2) is a crystalline solid with a molecular weight of approximately 457.9 g/mol. It has a pKa of about 3.86. This compound is slightly soluble in water and soluble in organic solvents such as ethanol and acetone. Chemically, it is highly reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but requires storage in a dry, cool, and dark place to prevent degradation.
Benzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl- (CAS: 864725-62-2) is typically synthesized through a multi-step process involving the synthesis of the isoxazole ring followed by substitution reactions. Common methods include the use of chlorination, nucleophilic substitution, and condensation reactions. The synthesis often requires the use of catalysts and protective groups to achieve high yields and selectivity.
Benzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl- (CAS: 864725-62-2) is primarily used in the pharmaceutical and polymer industries. It serves as an intermediate in the synthesis of various drugs, particularly those targeting inflammation and pain. In the polymer industry, it is used as a stabilizer to enhance the stability of polymer materials. Additionally, it has potential applications in the development of sensors and semiconductors due to its unique chemical properties.
When handling Benzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl- (CAS: 864725-62-2), it is crucial to wear appropriate 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 minimize exposure. Spills should be contained and cleaned up using appropriate procedures, and the Material Safety Data Sheet (MSDS) should be consulted for specific handling instructions. It is also important to store the compound in a cool, dry, and well-ventilated area away from direct sunlight and heat sources.

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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