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CS-W001157 4
Total: USD 88.00

1-Nitrohexane

  • CAS No. 646-14-0

  • Cat. No. CS-0466073
  • Molecule weight131.17
  • Purity≥98%
  • MDL No.None

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

1-Nitrohexane|CS-0466073

Structure of 646-14-0

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General Information

  • CAS No. 646-14-0
  • Cat. No. CS-0466073
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₃NO₂
  • Molecular Weight 131.17
  • Synonym(s) 1-nitro-hexane
  • SMILES CCCCCC[N+](=O)[O-]

Description

The electroreduction of 1-nitrohexane in the absence and presence of n-octanol and n-decanol has been studied.1-Nitrohexane has been used in preparation of silyl nitronates.

Synthesis

  • Route1
    • 6-Nitrohex-1-ene|CS-0875135
      4812-17-3
    • ~90%
    • 1-Nitrohexane|CS-0466073
      646-14-0

    References

    • Tetrahedron, , vol. 68, # 39 p. 8293 - 8299
  • Route2
    • null|null
      49746-23-8
    • ~74%
    • 1-Nitrohexane|CS-0466073
      646-14-0

    References

    • Chemical Communications, , # 14 p. 1653 - 1654
  • Route3
    • null|null
      6033-61-0
    • ~70%
    • 1-Nitrohexane|CS-0466073
      646-14-0

    References

    • Tetrahedron Letters, , vol. 33, # 33 p. 4835 - 4838

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   1.8434
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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