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CS-W001157 4
Total: USD 88.00

1-Butyl-2-nitrobenzene

  • CAS No. 7137-55-5

  • Cat. No. CS-0466250
  • Molecule weight179.22
  • Purity≥98%
  • MDL No.MFCD00130028

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

1-Butyl-2-nitrobenzene|CS-0466250

Structure of 7137-55-5

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General Information

  • CAS No. 7137-55-5
  • Cat. No. CS-0466250
  • Purity ≥98%
  • MDL No. MFCD00130028
  • 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-butyl-2-nitro-benzene
  • SMILES CCCCC1=CC=CC=C1[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Kondolff, Isabelle; Doucet, Henri; Santelli, Maurice Tetrahedron, 2004 , vol. 60, # 17 p. 3813 - 3818
  • Route2
    • null|null
      104-51-8
    • ~0%
    • 1-Butyl-4-nitrobenzene|CS-0320715
      20651-75-6
    • 1-Butyl-2-nitrobenzene|CS-0466250
      7137-55-5

    References

    • Mangold; Hanna Journal of Medicinal Chemistry, 1982 , vol. 25, # 6 p. 630 - 638
  • Route3
    • null|null
      693-03-8
    • null|null
      98-95-3
    • ~33%
    • 1-Butyl-4-nitrobenzene|CS-0320715
      20651-75-6
    • 1-Butyl-2-nitrobenzene|CS-0466250
      7137-55-5

    References

    • Makosza, Mieczyslaw; Surowiec, Marek Journal of Organometallic Chemistry, 2001 , vol. 624, # 1-2 p. 167 - 171

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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