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CS-W001157 4
Total: USD 88.00

(E)-1-methyl-4-(2-nitroprop-1-en-1-yl)benzene

  • CAS No. 52287-56-6

  • Cat. No. CS-0331889
  • Purity≥98%
  • MDL No.None

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

(E)-1-methyl-4-(2-nitroprop-1-en-1-yl)benzene|CS-0331889

Structure of 52287-56-6

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General Information

  • CAS No. 52287-56-6
  • Cat. No. CS-0331889
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₂
  • Molecular Weight 177.20
  • Synonym(s) trans-4-Methyl-beta-methyl-beta-nitrostyrene
  • SMILES CC1=CC=C(C=C1)/C=C(\C)/[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Alizadeh, Abdolhamid; Khodaei, Mohammad M.; Eshghi, Ali Journal of Organic Chemistry, 2010 , vol. 75, # 23 p. 8295 - 8298
  • Route2
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    • (E)-1-methyl-4-(2-nitroprop-1-en-1-yl)benzene|CS-0331889
      52287-56-6

    References

    • Agut, Juan; Vidal, Andreu; Rodriguez, Santiago; Gonzalez, Florenci V. Journal of Organic Chemistry, 2013 , vol. 78, # 11 p. 5717 - 5722
  • Route3

    References

    • Agut, Juan; Vidal, Andreu; Rodriguez, Santiago; Gonzalez, Florenci V. Journal of Organic Chemistry, 2013 , vol. 78, # 11 p. 5717 - 5722

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.63252
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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