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CS-W001157 4
Total: USD 88.00

2-Methyl-1-nitro-4-(trifluoromethyl)benzene

  • CAS No. 67192-42-1

  • Cat. No. CS-0454789
  • Purity≥95%
  • MDL No.MFCD00042323

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

2-Methyl-1-nitro-4-(trifluoromethyl)benzene|CS-0454789

Structure of 67192-42-1

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General Information

  • CAS No. 67192-42-1
  • Cat. No. CS-0454789
  • Purity ≥95%
  • MDL No. MFCD00042323
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene
  • SMILES CC1=CC(=CC=C1[N+](=O)[O-])C(F)(F)F

Synthesis

  • Route1

    References

    • Samant, Bhupesh S.; Kabalka, George W. Chemical Communications, 2011 , vol. 47, # 25 p. 7236 - 7238
  • Route2
    • In-stock
      5-Chloro-2-nitrotoluene|CS-W002149
      5367-28-2
    • null|null
      120120-26-5
    • ~71%
    • In-stock
      2-Methyl-1-nitro-4-(trifluoromethyl)benzene|CS-0454789
      67192-42-1

    References

    • Cho, Eun Jin; Senecal, Todd D.; Kinzel, Tom; Zhang, Yong; Watson, Donald A.; Buchwald, Stephen L. Science, 2010 , vol. 328, # 5986 p. 1679 - 1681
  • Route3

    References

    • US4388472 A1, ;

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.92202
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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