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CS-W001157 4
Total: USD 88.00

1-Chloro-4-isopropyl-3-nitrobenzene

  • CAS No. 76611-16-0

  • Cat. No. CS-0194235
  • Molecule weight199.63
  • Purity≥97%
  • MDL No.None

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

1-Chloro-4-isopropyl-3-nitrobenzene|CS-0194235

Structure of 76611-16-0

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General Information

  • CAS No. 76611-16-0
  • Cat. No. CS-0194235
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀ClNO₂
  • Molecular Weight 199.63
  • Synonym(s) 4-Chloro-1-(1-methylethyl)-2-nitrobenzene
  • SMILES O=[N+](C1=CC(Cl)=CC=C1C(C)C)[O-]

Synthesis

  • Route1
    • 4-Isopropyl-3-nitroaniline|CS-0196096
      92765-42-9
    • ~16%
    • 1-Chloro-4-isopropyl-3-nitrobenzene|CS-0194235
      76611-16-0

    References

    • NERVIANO MEDICAL SCIENCES S.R.L.; BRASCA, Maria Gabriella; BANDIERA, Tiziano; BERTRAND, Jay Aaron; GNOCCHI, Paola; MIRIZZI, Danilo; NESI, Marcella; PANZERI, Achille Patent: WO2012/143248 A1, 2012 ; Location in patent: Page/Page column 25 ;
  • Route2
    • 1-Chloro-4-(propan-2-yl)benzene|CS-0211648
      2621-46-7
    • ~11%
    • null|null
      76611-15-9
    • 1-Chloro-4-isopropyl-3-nitrobenzene|CS-0194235
      76611-16-0
    • null|null
      100-00-5

    References

    • Manglik, Ajay K.; Moodie, Roy B.; Schofield, Kenneth; Tobin, Geoffrey D.; Coombes, Robert G.; Hadjigeorgiu, Panicos Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 1606 - 1616
  • Route3

    References

    • Manglik, Ajay K.; Moodie, Roy B.; Schofield, Kenneth; Tobin, Geoffrey D.; Coombes, Robert G.; Hadjigeorgiu, Panicos Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 1606 - 1616

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.3716
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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