Cas no 5728-33-6 (3'-Methyl1,1'-biphenyl-4-carboxylic Acid)

3'-Methyl1,1'-biphenyl-4-carboxylic Acid structure
5728-33-6 structure
Product Name:3'-Methyl1,1'-biphenyl-4-carboxylic Acid
CAS No:5728-33-6
MF:C14H12O2
MW:212.243884086609
MDL:MFCD03424590
CID:366493
PubChem ID:2759816
Update Time:2025-09-24

3'-Methyl1,1'-biphenyl-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 3'-Methyl-[1,1'-biphenyl]-4-carboxylic acid
    • 3'-Methylbiphenyl-4-carboxylic acid
    • [1,1'-Biphenyl]-4-carboxylic acid, 3'-methyl-
    • 3'-Methyl-biphenyl-4-carboxylic acid
    • 4-(3-methylphenyl)benzoic acid
    • 3'-Methyl-biphenyl-4-carbonsaeure
    • AMTDA069
    • 3'-Methyl-1,1'-biphenyl-4-carboxylic acid
    • SCHEMBL2610268
    • 4-(m-tolyl)-benzoic acid
    • DTXSID50374920
    • CS-0207222
    • BDBM50060995
    • AS-2100
    • MFCD03424590
    • AKOS000805691
    • FT-0709095
    • 5728-33-6
    • 3''-Methyl-biphenyl-4-carboxylic acid
    • BB 0222356
    • 3'-Methyl-[1,1'-biphenyl]-4-carboxylicacid
    • 3'-methyl-4-biphenylcarboxylic acid
    • A831368
    • CHEMBL106291
    • 3'-METHYL [1,1'-BIPHENYL]-4-CARBOXYLIC ACID
    • AKOS BAR-0004
    • CHEMBRDG-BB 4400412
    • RARECHEM AL BE 1342
    • 4-(3-Tolyl)benzoic acid
    • DB-028015
    • 3'-Methyl1,1'-biphenyl-4-carboxylic Acid
    • MDL: MFCD03424590
    • Inchi: 1S/C14H12O2/c1-10-3-2-4-13(9-10)11-5-7-12(8-6-11)14(15)16/h2-9H,1H3,(H,15,16)
    • InChI Key: CVFLWXCNPWFJEH-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1C=CC=C(C)C=1)=O

Computed Properties

  • Exact Mass: 212.08400
  • Monoisotopic Mass: 212.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 241
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 3.4

Experimental Properties

  • Color/Form: NA
  • Density: 1.156
  • Melting Point: 209℃
  • Boiling Point: 375.7±21.0 °C at 760 mmHg
  • Flash Point: 197.1±24.0 °C
  • Refractive Index: 1.597
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 37.30000
  • LogP: 3.36020
  • pka: 4.19±0.10(Predicted)
  • Solubility: Slightly soluble in water.

3'-Methyl1,1'-biphenyl-4-carboxylic Acid Security Information

3'-Methyl1,1'-biphenyl-4-carboxylic Acid Customs Data

  • HS CODE:2916399090

3'-Methyl1,1'-biphenyl-4-carboxylic Acid Pricemore >>

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