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CS-W001157 4
Total: USD 88.00

4-Acetamido-2-chloro-5-nitrotoluene

  • CAS No. 7149-78-2

  • Cat. No. CS-0207021
  • Purity≥98%
  • MDL No.MFCD00034545

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

4-Acetamido-2-chloro-5-nitrotoluene|CS-0207021

Structure of 7149-78-2

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General Information

  • CAS No. 7149-78-2
  • Cat. No. CS-0207021
  • Purity ≥98%
  • MDL No. MFCD00034545
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClN₂O₃
  • Molecular Weight 228.63
  • Synonym(s) n-(5-Chloro-4-methyl-2-nitrophenyl)acetamide
  • SMILES CC1=CC([N+]([O-])=O)=C(NC(C)=O)C=C1Cl

Synthesis

  • Route1
    • N-(3-chloro-4-methylphenyl)acetamide|CS-M1325
      7149-79-3
    • ~94%
    • 4-Acetamido-2-chloro-5-nitrotoluene|CS-0207021
      7149-78-2

    References

    • NOVASAID AB; WANNBERG, Johan; ALTERMAN, Mathias; MALM, Johan; STENBERG, Patric; WESTMAN, Jacob; WALLBERG, Hans Patent: WO2011/23812 A1, 2011 ; Location in patent: Page/Page column 164 ; WO 2011/023812 A1
  • Route2
    • N-(3-chloro-4-methylphenyl)acetamide|CS-M1325
      7149-79-3
    • null|null
      7697-37-2
    • ~%
    • 4-Acetamido-2-chloro-5-nitrotoluene|CS-0207021
      7149-78-2

    References

    • Journal of the Chemical Society, , vol. 119, p. 868 Journal of the Chemical Society, , vol. 121, p. 809

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   2.51502
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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