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CS-W001157 4
Total: USD 88.00

1-(Isopropylsulfonyl)-2-nitrobenzene

  • CAS No. 70415-86-0

  • Cat. No. CS-0010401
  • Molecule weight229.25
  • Purity≥98%
  • MDL No.MFCD13689001

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

1-(Isopropylsulfonyl)-2-nitrobenzene|CS-0010401

Structure of 70415-86-0

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General Information

  • CAS No. 70415-86-0
  • Cat. No. CS-0010401
  • Purity ≥98%
  • MDL No. MFCD13689001
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₄S
  • Molecular Weight 229.25
  • Synonym(s) Isopropyl 2-nitrophenyl sulfone
  • SMILES CC(C)S(C1=C([N+]([O-])=O)C=CC=C1)(=O)=O

Synthesis

  • Route1
    • 1-(Isopropylsulfanyl)-2-nitrophenyl|CS-0010399
      70415-85-9
    • ~71%
    • In-stock
      1-(Isopropylsulfonyl)-2-nitrobenzene|CS-0010401
      70415-86-0

    References

    • Courtin, Alfred; Tobel, Hans-Rudolf von; Auerbach, Guenther Helvetica Chimica Acta, 1980 , vol. 63, # 6 p. 1412 - 1419
  • Route2
    • 2-Nitrobenzenethiol|CS-0539694
      4875-10-9
    • ~%
    • In-stock
      1-(Isopropylsulfonyl)-2-nitrobenzene|CS-0010401
      70415-86-0

    References

    • Courtin, Alfred; Tobel, Hans-Rudolf von; Auerbach, Guenther Helvetica Chimica Acta, 1980 , vol. 63, # 6 p. 1412 - 1419
  • Route3
    • null|null
      528-29-0
    • ~%
    • In-stock
      1-(Isopropylsulfonyl)-2-nitrobenzene|CS-0010401
      70415-86-0

    References

    • Cogolli,P. et al. Journal of Organic Chemistry, 1979 , vol. 44, # 15 p. 2636 - 2642

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   1.7769
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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