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CS-W001157 4
Total: USD 88.00

3-Iodo-5-nitrobenzoic acid

  • CAS No. 6313-17-3

  • Cat. No. CS-0053745
  • Purity≥98%
  • MDL No.None

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

3-Iodo-5-nitrobenzoic acid|CS-0053745

Structure of 6313-17-3

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General Information

  • CAS No. 6313-17-3
  • Cat. No. CS-0053745
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄INO₄
  • Molecular Weight 293.02
  • Synonym(s) iodonitrobenzoicacid
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=CC(I)=C1

Synthesis

  • Route1

    References

    • Roche Palo Alto LLC Patent: US2009/163502 A1, 2009 ; Location in patent: Page/Page column 36 ;
  • Route2
    • 3-Amino-5-nitrobenzoic acid|CS-0128390
      618-84-8
    • ~73%
    • 3-Iodo-5-nitrobenzoic acid|CS-0053745
      6313-17-3

    References

    • Wang, Ying; Li, Fei; Han, Yumiao; Wang, Fuyi; Jiang, Hua Chemistry - A European Journal, 2009 , vol. 15, # 37 p. 9424 - 9433

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H319-H372-H410
Precautionary Statements : P260-P264-P270-P273-P280-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.8976
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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