2-[(3-Methylphenyl)carbamoyl]benzoic acid

Basic Information

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CAS Number

85-72-3

Molecular Formula

C15H13NO3

Molecular Weight

255.27 g/mol

EINECS

201-626-9

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic 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

Refractive Index

1.657

SMILES

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Cc1cccc(c1)NC(=O)c2ccccc2C(=O)O

InChI

InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

InChIKey

AZPJXONNBLOZFE-UHFFFAOYSA-N

LogP

2.945520000000001

pKa

3.46±0.36(Predicted)

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

342

Synonyms & References

English

DURASET
DURASET 20W(R)
DURASET(R)
3'-METHYLPHTHALANILIC ACID
N-M-TOLYLPHTHALAMIC ACID
N-M-T
TOMASET
2-(((3-Methylphenyl)amino)carbonyl)benzoic acid
Benzoic acid,2-[[(3-methylphenyl)amino]carbonyl]-
2-[(3-methylphenyl)carbamoyl]benzoic acid
N-m-Tolylphthalamic Acid
N-M-TOLYLPHTHALAMIC ACID TECHNICAL GRADE
N-m-Tolylphthalamicacid Solution
3'-Methylphthalanilic acid
Duraset 20W
N-meta-tolyl phthalamic acid
N-m-tolyl-phthalamic acid
N-m-Tolyl-phthalamidsaeure
N-m-Tolylphthalaminic acid
phthalamate
Phthalanilic acid,3'-methyl
Phthalsaeure-mono-m-toluidid
Tomaset
2-(m-Tolylcarbamoyl)benzoic acid

MDL Number

MFCD00020274

EC Number

201-626-9

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-[(3-Methylphenyl)carbamoyl]benzoic acid (CAS: 85-72-3)?

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.

How is 2-[(3-Methylphenyl)carbamoyl]benzoic acid (CAS: 85-72-3) typically synthesized?

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.

What industries use 2-[(3-Methylphenyl)carbamoyl]benzoic acid (CAS: 85-72-3)?

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.

What precautions should be taken when handling 2-[(3-Methylphenyl)carbamoyl]benzoic acid (CAS: 85-72-3)?

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.