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CS-W001157 4
Total: USD 88.00

1-Methyl-3-(4-nitrophenyl)benzene

  • CAS No. 952-21-6

  • Cat. No. CS-0210946
  • Purity≥97%
  • MDL No.MFCD00452721

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

1-Methyl-3-(4-nitrophenyl)benzene|CS-0210946

Structure of 952-21-6

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General Information

  • CAS No. 952-21-6
  • Cat. No. CS-0210946
  • Purity ≥97%
  • MDL No. MFCD00452721
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂
  • Molecular Weight 213.23
  • Synonym(s) 4-nitro-3'-methylbiphenyl
  • SMILES CC1=CC(=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Wojcik, Karolina; Goux-Henry, Catherine; Andrioletti, Bruno; Michal Pietrusiewicz; Framery, Eric Tetrahedron Letters, 2012 , vol. 53, # 42 p. 5602 - 5604
  • Route2
    • null|null
      591-17-3
    • null|null
      586-78-7
    • ~89%
    • 1-Methyl-3-(4-nitrophenyl)benzene|CS-0210946
      952-21-6

    References

    • Glende, Carsten; Klein, Markus; Schmitt, Heimo; Erdinger, Lothar; Boche, Gernot Mutation Research - Genetic Toxicology and Environmental Mutagenesis, 2002 , vol. 515, # 1-2 p. 15 - 38
  • Route3
    • null|null
      18292-38-1
    • null|null
      35487-34-4
    • ~79%
    • 1-Methyl-3-(4-nitrophenyl)benzene|CS-0210946
      952-21-6

    References

    • Bhunia, Sabyasachi; Abu Sohel, Shariar Md.; Yang, Chao-Chin; Lush, Shie-Fu; Shen, Fwu-Ming; Liu, Rai-Shung Journal of Organometallic Chemistry, 2009 , vol. 694, # 4 p. 566 - 570

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.57022
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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