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CS-W001157 4
Total: USD 88.00

1-Butyl-4-nitrobenzene

  • CAS No. 20651-75-6

  • Cat. No. CS-0320715
  • Molecule weight179.22
  • Purity≥96%
  • MDL No.None

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

1-Butyl-4-nitrobenzene|CS-0320715

Structure of 20651-75-6

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General Information

  • CAS No. 20651-75-6
  • Cat. No. CS-0320715
  • Purity ≥96%
  • 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) None
  • SMILES CCCCC1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • 4-n-Butylchlorobenzene|CS-0206350
      15499-27-1
    • ~96%
    • 1-Butyl-4-nitrobenzene|CS-0320715
      20651-75-6

    References

    • MASSACHUSETTS INSTITUTE OF TECHNOLOGY Patent: WO2009/76622 A2, 2009 ; Location in patent: Page/Page column 144-145 ;
  • Route2
    • null|null
      100-25-4
    • null|null
      122-56-5
    • ~78%
    • 1-Butyl-4-nitrobenzene|CS-0320715
      20651-75-6

    References

    • Shifman, Anna; Palani, Namasivayam; Hoz, Shmaryahu Angewandte Chemie - International Edition, 2000 , vol. 39, # 5 p. 944 - 945
  • Route3

    References

    • Kondolff, Isabelle; Doucet, Henri; Santelli, Maurice Tetrahedron, 2004 , vol. 60, # 17 p. 3813 - 3818

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.9374
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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