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3-Bromo-5-iodo-phenylamine

  • CAS No. 31948-87-5

  • Cat. No. CS-0340522
  • Molecule weight297.92
  • Purity≥98%
  • MDL No.None

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

3-Bromo-5-iodo-phenylamine|CS-0340522

Structure of 31948-87-5

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General Information

  • CAS No. 31948-87-5
  • Cat. No. CS-0340522
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrIN
  • Molecular Weight 297.92
  • Synonym(s) 3-Bromo-5-iodoaniline
  • SMILES C1=C(C=C(C=C1I)N)Br

Synthesis

  • Route1

    References

    • LOCUS PHARMACEUTICALS, INC. Patent: WO2008/8059 A1, 2008 ; Location in patent: Page/Page column 159 ;
  • Route2

    References

    • PROLYSIS LTD. Patent: WO2007/148093 A1, 2007 ; Location in patent: Page/Page column 14-15 ; WO 2007/148093 A1
  • Route3
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      915413-41-1
    • ~%
    • In-stock
      3-Bromo-5-iodo-phenylamine|CS-0340522
      31948-87-5

    References

    • Shetty, Rupa S.; Lee, Younghee; Liu, Bin; Husain, Arifa; Joseph, Rhoda W.; Lu, Yixin; Nelson, David; Mihelcic, John; Chao, Wenchun; Moffett, Kristofer K.; Schumacher, Andreas; Flubacher, Dietmar; Stojanovic, Aleksandar; Bukhtiyarova, Marina; Williams, Ken; Lee, Kyoung-Jin; Ochman, Alexander R.; Saporito, Michael S.; Moore, William R.; Flynn, Gary A.; Dorsey, Bruce D.; Springman, Eric B.; Fujimoto, Ted; Kelly, Martha J. Journal of Medicinal Chemistry, 2011 , vol. 54, # 1 p. 179 - 200

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.6359
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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