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CS-W001157 4
Total: USD 88.00

4-Phenylbutyl nitrate

  • CAS No. 7252-51-9

  • Cat. No. CS-0580254
  • Molecule weight195.22
  • Purity≥98%
  • MDL No.None

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

4-Phenylbutyl nitrate|CS-0580254

Structure of 7252-51-9

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General Information

  • CAS No. 7252-51-9
  • Cat. No. CS-0580254
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₃
  • Molecular Weight 195.22
  • Synonym(s) 1-Butoxy-2-nitrobenzene
  • SMILES O=[N+](OCCCCC1=CC=CC=C1)[O-]

Synthesis

  • Route1

    References

    • Bhadra, Sukalyan; Dzik, Wojciech I.; Goossen, Lukas J. Synthesis (Germany), 2013 , vol. 45, # 17 art. no. SS-2013-Z0414-PSP, p. 2387 - 2390
  • Route2
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    • 4-Phenylbutyl nitrate|CS-0580254
      7252-51-9

    References

    • Allen; Gates Organic Syntheses, 1955 , vol. Coll. Vol. III, p. 140
  • Route3

    References

    • Bhadra, Sukalyan; Dzik, Wojciech I.; Goossen, Lukas J. Journal of the American Chemical Society, 2012 , vol. 134, # 24 p. 9938 - 9941

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   52.37
  • LogP   2.2176
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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