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CS-W001157 4
Total: USD 88.00

2-Iodo-3-nitrobenzoic acid

  • CAS No. 5398-69-6

  • Cat. No. CS-B1198
  • Purity≥95%
  • MDL No.MFCD00277941

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

2-Iodo-3-nitrobenzoic acid|CS-B1198

Structure of 5398-69-6

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General Information

  • CAS No. 5398-69-6
  • Cat. No. CS-B1198
  • Purity ≥95%
  • MDL No. MFCD00277941
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄INO₄
  • Molecular Weight 293.02
  • Synonym(s) 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
  • SMILES O=C(O)C1=CC=CC([N+]([O-])=O)=C1I

Synthesis

  • Route1

    References

    • Wong, See-Mun; Shah, Bhavini; Shah, Priyal; Butt, Ian C.; Woon, Esther C.Y.; Wright, James A.; Thompson, Andrew S.; Upton, Christopher; Threadgill, Michael D. Tetrahedron Letters, 2002 , vol. 43, # 12 p. 2299 - 2302
  • Route2

    References

    • Morrison,G.F.; Hooz,J. Journal of Organic Chemistry, 1970 , vol. 35, # 4 p. 1196 - 1198
  • Route3

    References

    • Barbasiewicz, Michal; Blocki, Krzysztof; Malinska, Maura; Pawlowski, Robert Dalton Transactions, 2013 , vol. 42, # 2 p. 355 - 358

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-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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