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CS-W001157 4
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1-Methyl-4-(3-nitrophenyl)benzene

  • CAS No. 53812-68-3

  • Cat. No. CS-0210687
  • Molecule weight213.23
  • Purity≥98%
  • MDL No.MFCD02246594

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

1-Methyl-4-(3-nitrophenyl)benzene|CS-0210687

Structure of 53812-68-3

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General Information

  • CAS No. 53812-68-3
  • Cat. No. CS-0210687
  • Purity ≥98%
  • MDL No. MFCD02246594
  • 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'-Methyl-3-nitro-1,1'-biphenyl
  • SMILES CC1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Jin, Myung-Jong; Taher, Abu; Kang, Hee-Jae; Choi, Minkee; Ryoo, Ryong Green Chemistry, 2009 , vol. 11, # 3 p. 309 - 313
  • Route2

    References

    • Guo, Xuming; Zhou, Jin; Li, Xiaoyan; Sun, Hongjian Journal of Organometallic Chemistry, 2008 , vol. 693, # 25 p. 3692 - 3696
  • Route3
    • null|null
      106-38-7
    • ~%
    • 1-Methyl-4-(3-nitrophenyl)benzene|CS-0210687
      53812-68-3

    References

    • AKZO NOBEL N.V. Patent: US2007/112034 A1, 2007 ; Location in patent: Page/Page column 8 ;

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   3.57022
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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