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CS-W001157 4
Total: USD 88.00

1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene

  • CAS No. 3729-41-7

  • Cat. No. CS-0236212
  • Purity≥98%
  • MDL No.None

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

1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene|CS-0236212

Structure of 3729-41-7

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General Information

  • CAS No. 3729-41-7
  • Cat. No. CS-0236212
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄S
  • Molecular Weight 227.24
  • Synonym(s) 1-Nitro-3-prop-2-enylsulfonylbenzene
  • SMILES C=CCS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      106-95-6
    • null|null
      121-51-7
    • ~19%
    • 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene|CS-0236212
      3729-41-7

    References

    • Baruah, Mukulesh; Boruah, Anima; Prajapati, Dipak; Sandhu, Jagir S. Synlett, 1998 , # 10 p. 1083 - 1084
  • Route2
    • Sodium 3-nitrobenzenesulfinate|CS-1683374
      15898-46-1
    • null|null
      106-95-6
    • ~%
    • 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene|CS-0236212
      3729-41-7

    References

    • Mikhailova,V.N.; Bulat,A.D. J. Gen. Chem. USSR (Engl. Transl.), 1965 , vol. 35, p. 1361 - 1364,1367 - 1369

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   1.5545
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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