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CS-W001157 4
Total: USD 88.00

Tert-butyl 2-chloro-5-nitrobenzoate

  • CAS No. 55233-05-1

  • Cat. No. CS-0322934
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 2-chloro-5-nitrobenzoate|CS-0322934

Structure of 55233-05-1

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General Information

  • CAS No. 55233-05-1
  • Cat. No. CS-0322934
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂ClNO₄
  • Molecular Weight 257.67
  • Synonym(s) tert-butyl 2-chloro-5-nitrobenzenecarboxylate
  • SMILES CC(C)(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2008/152014 A2, 2008 ; Location in patent: Page/Page column 15 ; WO 2008/152014 A2
  • Route2

    References

    • Cancer Research Campaign Technology Limited Patent: US5985909 A1, 1999 ;
  • Route3
    • In-stock
      2-Chloro-5-nitrobenzoic acid|CS-0017179
      2516-96-3
    • null|null
      115-11-7
    • ~64%
    • In-stock
      Tert-butyl 2-chloro-5-nitrobenzoate|CS-0322934
      55233-05-1

    References

    • Van Der Aar; Buikema; Commandeur; Te Koppele; Van Ommen; Van Bladeren; Vermeulen Xenobiotica, 1996 , vol. 26, # 2 p. 143 - 155

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   3.2035
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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