2-[(3-Methylphenyl)carbamoyl]benzoic acid(CAS: 85-72-3)
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CAS Number
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Basic Information
Molecular Formula
C15H13NO3
Molecular Weight
255.27 g/mol
EINECS
201-626-9
Physical Properties
Melting Point
150 °C
Boiling Point
371.0±35.0 °C(Predicted)
Density
1.295±0.06 g/cm3(Predicted)
Flash Point
178.2°C
Chemical Identifiers
SMILES
Cc1cccc(c1)NC(=O)c2ccccc2C(=O)O
InChIKey
AZPJXONNBLOZFE-UHFFFAOYSA-N
Database References
MDL Number
MFCD00020274
FAQ
2-[(3-Methylphenyl)carbamoyl]benzoic acid is a crystalline solid with a molecular weight of approximately 273.28 g/mol. It has a pKa value around 4.0, indicating it is a weak acid. The compound is slightly soluble in water but soluble in organic solvents like methanol and ethanol. It is reactive towards bases, undergoing deprotonation, and exhibits ester-like reactivity with nucleophiles.
2-[(3-Methylphenyl)carbamoyl]benzoic acid is commonly synthesized via a multi-step process involving the reaction of 3-methylbenzoyl chloride with aniline, followed by acylation and derivatization steps. The key reaction involves the formation of an amide bond between the carboxylic acid and the phenyl group, yielding the target compound with good yield and selectivity.
2-[(3-Methylphenyl)carbamoyl]benzoic acid is used in various industries. It is a key intermediate in the production of pharmaceuticals, particularly for drugs targeting metabolic disorders. It also finds applications in the synthesis of organic semiconductors and in the development of chemical sensors due to its unique chemical properties.
Proper handling of 2-[(3-Methylphenyl)carbamoyl]benzoic acid requires attention to safety. It should be handled in a fume hood to avoid inhalation of dust and vapors. Use appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Spills should be cleaned up immediately using a damp cloth and neutralizing agents if necessary. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.
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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