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CS-W001157 4
Total: USD 88.00

1-(methylsulfonylmethyl)-4-nitrobenzene

  • CAS No. 61081-34-3

  • Cat. No. CS-0035850
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-(methylsulfonylmethyl)-4-nitrobenzene|CS-0035850

Structure of 61081-34-3

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General Information

  • CAS No. 61081-34-3
  • Cat. No. CS-0035850
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄S
  • Molecular Weight 215.23
  • Synonym(s) 1-(Methanesulfonylmethyl)-4-nitrobenzene
  • SMILES CS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Blackburn; Challenger Journal of the Chemical Society, 1938 , p. 1875 Full Text Show Details I.G. Farbenind. Patent: DE623883 , 1934 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 22, p. 1040
  • Route2
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      51392-53-1
    • ~63%
    • 1-(methylsulfonylmethyl)-4-nitrobenzene|CS-0035850
      61081-34-3

    References

    • Sammond, Douglas M.; Nailor, Kristen E.; Veal, James M.; Nolte, Robert T.; Wang, Liping; Knick, Victoria B.; Rudolph, Sharon K.; Truesdale, Anne T.; Nartey, Eldridge N.; Stafford, Jeffrey A.; Kumar, Rakesh; Cheung, Mui Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 15 p. 3519 - 3523
  • Route3

    References

    • SMITHKLINE BEECHAM CORPORATION; Stafford, Jeffrey Alan Patent: WO2003/106416 A2, 2003 ; Location in patent: Page 47-48 ; WO 03/106416 A2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   1.1394
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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