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CS-W001157 4
Total: USD 88.00

4-Isopropyl-2-nitroaniline

  • CAS No. 63649-64-9

  • Cat. No. CS-0154288
  • Purity≥97%
  • MDL No.MFCD00092920

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

4-Isopropyl-2-nitroaniline|CS-0154288

Structure of 63649-64-9

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General Information

  • CAS No. 63649-64-9
  • Cat. No. CS-0154288
  • Purity ≥97%
  • MDL No. MFCD00092920
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₂
  • Molecular Weight 180.20
  • Synonym(s) 4-Isopropyl-2-nitro-anilin
  • SMILES CC(C)C1=CC(=C(C=C1)N)[N+](=O)[O-]

Synthesis

  • Route1
    • 2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide|CS-0507430
      1338684-26-6
    • ~61%
    • 4-Isopropyl-2-nitroaniline|CS-0154288
      63649-64-9

    References

    • BIORELIX, INC.; COISH, Philip, D., G.; DIXON, Brian, R.; OSTERMAN, David; ARISTOFF, Paul, Adrian; NAVIA, Manuel; SCIAVOLINO, Frank; AVOLA, Stephanie; BABOULAS, Nick; BELLIOTTI, Thomas, R.; BELLO, Angelica; BERMAN, Judd; CHRUSCIEL, Robert, A.; EVANS, Bruce, R.; KAUR, Harpreet; MOON, David; PHAM, Vinh; ROUGHTON, Andrew; WICKENS, Phil; WILSON, Jeffrey Patent: WO2011/126567 A1, 2011 ; Location in patent: Page/Page column 187 ;
  • Route2
    • N-[4-(1-Methylethyl)-2-nitrophenyl]acetamide|CS-0647661
      40655-36-5
    • ~%
    • 4-Isopropyl-2-nitroaniline|CS-0154288
      63649-64-9

    References

    • Journal of Organic Chemistry, , vol. 19, p. 1067,1073
  • Route3

    References

    • WO2011/126567 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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.3004
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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