Cas no 89942-56-3 (2-(Methylsulfonyl)benzonitrile)

2-(Methylsulfonyl)benzonitrile structure
89942-56-3 structure
Product Name:2-(Methylsulfonyl)benzonitrile
CAS No:89942-56-3
MF:C8H7NO2S
MW:181.211680650711
MDL:MFCD11052333
CID:712531
PubChem ID:22346290
Update Time:2025-04-19

2-(Methylsulfonyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(Methylsulfonyl)benzonitrile
    • 2-methylsulfonylbenzonitrile
    • Benzonitrile,2-(methylsulfonyl)-
    • 2-methanesulfonyl-benzonitrile
    • 2-Methansulfonyl-benzonitril
    • 2-Methylsulfon-benzoesaeure-nitril
    • 2-Methylsulfon-benzonitril
    • Benzonitrile,2-(methylsulfonyl)
    • o-Methylsulfon-benzonitril
    • Benzonitrile, 2-(methylsulfonyl)-
    • o-methylsulfonylbenzonitrile
    • 2-methanesulphonylbenzonitrile
    • 2-(Methanesulfonyl)benzonitrile
    • SLNZDFDPYBTIHA-UHFFFAOYSA-N
    • 2-METHANESULFONYLBENZONITRILE
    • 5301AJ
    • KM2889
    • TRA0051115
    • FCH2135131
    • SY003363
    • AX8174331
    • AS-31521
    • DB-012741
    • DTXSID60625071
    • 89942-56-3
    • SCHEMBL514821
    • ?2-(Methylsulfonyl)benzonitrile
    • CS-0343306
    • MFCD11052333
    • AKOS006282031
    • MDL: MFCD11052333
    • Inchi: 1S/C8H7NO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,1H3
    • InChI Key: SLNZDFDPYBTIHA-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC=CC=1C#N)(=O)=O

Computed Properties

  • Exact Mass: 181.02000
  • Monoisotopic Mass: 181.01974964g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 293
  • 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: 66.3
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.9

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.0±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 404.425 ℃ at 760 mmHg
  • Flash Point: 198.39℃
  • Refractive Index: 1.571
  • PSA: 66.31000
  • LogP: 2.04258
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-(Methylsulfonyl)benzonitrile Security Information

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2-(Methylsulfonyl)benzonitrile Production Method

2-(Methylsulfonyl)benzonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:89942-56-3)2-(Methylsulfonyl)benzonitrile
Order Number:A860972
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:27
Price ($):403.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:89942-56-3)2-(Methylsulfonyl)benzonitrile
A860972
Purity:99%
Quantity:25g
Price ($):403.0
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