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CS-W001157 4
Total: USD 88.00

1-(Sec-butyl)-4-nitrobenzene

  • CAS No. 4237-40-5

  • Cat. No. CS-0317849
  • Molecule weight179.22
  • Purity≥98%
  • MDL No.None

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

1-(Sec-butyl)-4-nitrobenzene|CS-0317849

Structure of 4237-40-5

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General Information

  • CAS No. 4237-40-5
  • Cat. No. CS-0317849
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 1-sec-Butyl-4-nitrobenzene
  • SMILES CCC(C)C1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      142509-27-1
    • null|null
      100-00-5
    • ~93%
    • 1-(Sec-butyl)-4-nitrobenzene|CS-0317849
      4237-40-5

    References

    • Li, Ling; Wang, Chao-Yuan; Huang, Rongcai; Biscoe, Mark R. Nature Chemistry, 2013 , vol. 5, # 7 p. 607 - 612
  • Route2
    • null|null
      135-98-8
    • ~50%
    • 1-(Sec-butyl)-4-nitrobenzene|CS-0317849
      4237-40-5

    References

    • Hartmann; Batzl European Journal of Medicinal Chemistry, 1992 , vol. 27, # 5 p. 537 - 544
  • Route3
    • (Z)-But-2-en-2-ylbenzene|CS-1055230
      767-99-7
    • ~%
    • 1-(Sec-butyl)-4-nitrobenzene|CS-0317849
      4237-40-5

    References

    • Glattfeld; Wertheim Journal of the American Chemical Society, 1921 , vol. 43, p. 2684

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   43.14
  • LogP   3.1083
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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