Cas no 125562-53-0 ((Methylsulfonyl)benzene-13C2)

(Methylsulfonyl)benzene-13C2 structure
(Methylsulfonyl)benzene-13C2 structure
Product Name:(Methylsulfonyl)benzene-13C2
CAS No:125562-53-0
MF:C7H8O2S
MW:157.194875717163
CID:103530
PubChem ID:10171259
Update Time:2025-09-17

(Methylsulfonyl)benzene-13C2 Chemical and Physical Properties

Names and Identifiers

    • Benzene,(methyl-13C-sulfonyl)-
    • (Methylsulfonyl)benzene-13C2
    • Methyl-13C Phenyl Sulfone
    • (Methylsulfonyl)benz
    • (13)C-methyl-phenylsulfone
    • (Phenylsulfonyl)methane-13C2
    • [13C]methyl phenyl sulfone
    • [13C]-methyl phenyl sulfone
    • -13C2 NSC 41587-13C2
    • 13C-methyl phenyl sulfone
    • 363022_ALDRICH
    • Phenyl Methyl Sulfone-13C2
    • SureCN1332357
    • METHYL-13C PHENYL SULFONE, 99 ATOM % 13C
    • (113C)methylsulfonylbenzene
    • 125562-53-0
    • DTXSID60436306
    • SCHEMBL1332357
    • J-005243
    • DTXCID50387131
    • MDL： MFCD00134251
    • Inchi： 1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3/i1+1
    • InChI Key： JCDWETOKTFWTHA-OUBTZVSYSA-N
    • SMILES： S([13CH3])(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 157.02785550g/mol
  • Monoisotopic Mass: 157.02785550g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 182
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • Color/Form: Colorless crystal
  • Density: 1.19
  • Melting Point: 85-88?°C(lit.)
  • Refractive Index: 1.525
  • Solubility: Not determined

(Methylsulfonyl)benzene-13C2 Security Information

  • WGK Germany：3
  • Hazard Category Code： 22
  • Safety Instruction： 22-24/25
  • RTECS：WR6800000
  • Hazardous Material Identification： Xn
  • Risk Phrases：22

(Methylsulfonyl)benzene-13C2 Pricemore >>

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