Cas no 115363-11-6 (2-methyl-3-phenylbenzoic Acid)

2-Methyl-3-phenylbenzoic acid is a substituted benzoic acid derivative characterized by the presence of a methyl group at the 2-position and a phenyl ring at the 3-position of the benzoic acid core. This structural configuration imparts distinct chemical properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound exhibits moderate acidity due to the carboxyl group, while the aromatic and aliphatic substituents enhance its reactivity in electrophilic and nucleophilic transformations. Its crystalline solid form and well-defined melting point facilitate purification and handling. Applications include use in fine chemical synthesis, ligand design, and as a building block for more complex molecular architectures.
2-methyl-3-phenylbenzoic Acid structure
2-methyl-3-phenylbenzoic Acid structure
Product Name:2-methyl-3-phenylbenzoic Acid
CAS No:115363-11-6
MF:C14H12O2
MW:212.243884086609
MDL:MFCD11554177
CID:1204439
PubChem ID:17850713
Update Time:2025-05-28

2-methyl-3-phenylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-3-phenylbenzoic acid
    • [1,1'-Biphenyl]-3-carboxylic acid, 2-methyl-
    • SureCN121422
    • ANW-16868
    • AGN-PC-01MJ7Y
    • ACMC-2099py
    • CTK0C6466
    • 2-Methylbiphenyl-3-carboxylic acid
    • 2-methyl-biphenyl-3-carboxylic acid
    • 2-Methyl-biphenyl-3-carbonsaeure
    • 2-METHYL-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID
    • AMY26911
    • 2-Methyl[1,1'-biphenyl]-3-carboxylic acid
    • 115363-11-6
    • SY333556
    • BP Acid
    • 2-Methyl-[1,1 inverted exclamation mark -biphenyl]-3-carboxylic Acid
    • DTXSID70591273
    • MFCD11554177
    • CS-0441490
    • AKOS014880283
    • F97276
    • 2-Methyl-3-phenylbenzoic Acid; [1,1'-Biphenyl]-3-carboxylic acid, 2-methyl-; 2-Methyl[1,1'-biphenyl]-3-carboxylic acid; 2-Methyl-3-phenylbenzoic acid; 2-Methylbiphenyl-3-carboxylic acid
    • 2-Methyl-[1,1'-biphenyl]-3-carboxylicacid
    • NS00067152
    • EN300-1718277
    • SCHEMBL121422
    • 2-methyl-3-phenylbenzoic Acid
    • MDL: MFCD11554177
    • Inchi: 1S/C14H12O2/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(15)16/h2-9H,1H3,(H,15,16)
    • InChI Key: HOAIMLUVGBVVFZ-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(C2C=CC=CC=2)=C1C)=O

Computed Properties

  • Exact Mass: 212.083729621g/mol
  • Monoisotopic Mass: 212.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 243
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 376.8±21.0 °C at 760 mmHg
  • Flash Point: 173.7±16.7 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-methyl-3-phenylbenzoic Acid Security Information

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