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CS-W001157 4
Total: USD 88.00

5-Bromo-2-(2-nitrovinylamino)benzoic acid

  • CAS No. 853908-49-3

  • Cat. No. CS-B0351
  • Purity≥97%
  • MDL No.None

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

5-Bromo-2-(2-nitrovinylamino)benzoic acid|CS-B0351

Structure of 853908-49-3

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General Information

  • CAS No. 853908-49-3
  • Cat. No. CS-B0351
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrN₂O₄
  • Molecular Weight 287.07
  • Synonym(s) 5-Bromo-2-[(2-nitroethenyl)amino]-Benzoic Acid
  • SMILES O=C(C1=CC(Br)=CC=C1N/C=C/[N+]([O-])=O)O

Synthesis

  • Route1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2005/54237 A1, 2005 ; Location in patent: Page/Page column 53 ; WO 2005/054237 A1
  • Route2
    • null|null
      860439-13-0
    • 2-Amino-5-bromobenzoic acid hydrochloride|CS-0866035
      74189-16-5
    • ~50%
    • 5-Bromo-2-(2-nitrovinylamino)benzoic acid|CS-B0351
      853908-49-3

    References

    • INTELLIKINE, LLC; REN, Pingda; LIU, Yi; LI, Liansheng; CHAN, Katrina; WILSON, Troy, Edward; CAMPBELL, Simon, Fraser Patent: WO2012/116237 A2, 2012 ; Location in patent: Page/Page column 119 ; WO 2012/116237 A2
  • Route3

    References

    • INTELLIKINE, LLC; REN, Pingda; LIU, Yi; LI, Liansheng; CHAN, Katrina; WILSON, Troy, Edward; CAMPBELL, Simon, Fraser Patent: WO2012/116237 A2, 2012 ; WO 2012/116237 A2

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   92.47
  • LogP   2.3071
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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