Cas no 599-75-7 (o-tolyl toluene-4-sulphonate)

o-tolyl toluene-4-sulphonate structure
o-tolyl toluene-4-sulphonate structure
Product Name:o-tolyl toluene-4-sulphonate
CAS No:599-75-7
MF:C14H14O3S
MW:262.324162960052
CID:950987
PubChem ID:222524
Update Time:2025-04-19

o-tolyl toluene-4-sulphonate Chemical and Physical Properties

Names and Identifiers

    • o-tolyl toluene-4-sulphonate
    • (2-methylphenyl) 4-methylbenzenesulfonate
    • 2-MeC6H4OTs
    • 2-methylphenyl 4-methylbenzenesulfonate
    • 2-methylphenyl p-toluenesulfonate
    • 2-methylphenyltosylate
    • 2-tolyl tosylate
    • AC1L5BVW
    • AC1Q6Y0V
    • AE-848
    • AR-1K9293
    • CTK1H2276
    • NSC8790
    • o-tolyl 4-methylbenzenesulfonate
    • o-Tolyl p-toluenesulfonate
    • o-methylphenyl p-toluenesulfonate
    • AKOS008677747
    • HS-5760
    • Benzenesulfonic acid, 2-methylphenyl ester
    • 2-methylphenyl 4-toluenesulfonate
    • 2-Methylphenyl tosylate
    • 2-methylphenyl 4-methylbenzene-1-sulfonate
    • NSC-8790
    • o-Kresyl-p-toluolsulfonat
    • DTXSID60278647
    • EN300-7273213
    • AE-848/33607003
    • 599-75-7
    • SCHEMBL3824499
    • Inchi: 1S/C14H14O3S/c1-11-7-9-13(10-8-11)18(15,16)17-14-6-4-3-5-12(14)2/h3-10H,1-2H3
    • InChI Key: WBKWVLAHWVFXKM-UHFFFAOYSA-N
    • SMILES: CC1C=CC(S(OC2C(C)=CC=CC=2)(=O)=O)=CC=1

Computed Properties

  • Exact Mass: 262.06642
  • Monoisotopic Mass: 262.066365
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 350
  • 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: 51.8
  • XLogP3: 3.7

Experimental Properties

  • Density: 1.216
  • Boiling Point: 400.8°C at 760 mmHg
  • Flash Point: 196.2°C
  • Refractive Index: 1.575
  • PSA: 43.37
  • LogP: 4.15190

o-tolyl toluene-4-sulphonate Pricemore >>

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