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CS-W001157 4
Total: USD 88.00

1-Methyl-3-(2-nitrovinyl)benzene

  • CAS No. 22568-43-0

  • Cat. No. CS-0287162
  • Molecule weight163.17
  • Purity≥95%
  • MDL No.None

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

1-Methyl-3-(2-nitrovinyl)benzene|CS-0287162

Structure of 22568-43-0

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General Information

  • CAS No. 22568-43-0
  • Cat. No. CS-0287162
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 3'-METHYL-BETA-NITROSTYRENE
  • SMILES O=[N+](C=CC1=CC=CC(C)=C1)[O-]

Synthesis

  • Route1

    References

    • NOVARTIS AG; Bock, Mark Gary; Gaul, Christoph; Gummadi, Venkateshwar Rao; Moebitz, Henrik; Sengupta, Saumitra Patent: US2014/45872 A1, 2014 ; Location in patent: Paragraph 1028 ;
  • Route2

    References

    • Campos, Pedro J.; Garcia, Barbara; Rodriguez, Miguel A. Tetrahedron Letters, 2000 , vol. 41, # 6 p. 979 - 982
  • Route3
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      79-24-3
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      108-88-3
    • ~%
    • 1-Methyl-2-(2-nitrovinyl)benzene|CS-0287163
      34222-71-4
    • null|null
      101671-00-5
    • 1-Methyl-3-(2-nitrovinyl)benzene|CS-0287162
      22568-43-0

    References

    • Zhang, Min; Hu, Peng; Zhou, Jun; Wu, Ge; Huang, Shijun; Su, Weiping Organic Letters, 2013 , vol. 15, # 7 p. 1718 - 1721

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.24242
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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