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CS-W001157 4
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2,3-Dimethyl-5-nitrobenzenesulfonyl chloride

  • CAS No. 68631-04-9

  • Cat. No. CS-0473837
  • Purity≥98%
  • MDL No.MFCD08271784

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

2,3-Dimethyl-5-nitrobenzenesulfonyl chloride|CS-0473837

Structure of 68631-04-9

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General Information

  • CAS No. 68631-04-9
  • Cat. No. CS-0473837
  • Purity ≥98%
  • MDL No. MFCD08271784
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClNO₄S
  • Molecular Weight 249.67
  • Synonym(s) Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro-
  • SMILES CC1=C(C)C(=CC(=C1)[N+]([O-])=O)S(Cl)(=O)=O

Synthesis

  • Route1
    • null|null
      99-51-4
    • ~%
    • 2,3-Dimethyl-5-nitrobenzenesulfonyl chloride|CS-0473837
      68631-04-9

    References

    • Sellitto, Ian; Bourdonnec, Bertrand Le; Worm, Karin; Goodman, Allan; Savolainen, Markku A.; Chu, Guo-Hua; Ajello, Christopher W.; Saeui, Christopher T.; Leister, Lara K.; Cassel, Joel A.; DeHaven, Robert N.; LaBuda, Christopher J.; Koblish, Michael; Little, Patrick J.; Brogdon, Bernice L.; Smith, Steven A.; Dolle, Roland E. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 1 p. 387 - 391

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   2.13914
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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