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CS-W001157 4
Total: USD 88.00

Diethyl 4-bromoisophthalate

  • CAS No. 56984-35-1

  • Cat. No. CS-0492267
  • Purity≥98%
  • MDL No.MFCD13189853

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

Diethyl 4-bromoisophthalate|CS-0492267

Structure of 56984-35-1

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General Information

  • CAS No. 56984-35-1
  • Cat. No. CS-0492267
  • Purity ≥98%
  • MDL No. MFCD13189853
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃BrO₄
  • Molecular Weight 301.13
  • Synonym(s) diethyl 4-bromobenzene-1,3-dicarboxylate
  • SMILES CCOC(=O)C1=C(Br)C=CC(C(=O)OCC)=C1

Synthesis

  • Route1

    References

    • Igarashi, Susumu; Kimura, Takenori; Naito, Ryo; Hara, Hiromu; Fujii, Masahiro; Koutoku, Hiroshi; Oritani, Hiroyuki; Mase, Toshiyasu Chemical and Pharmaceutical Bulletin, 1999 , vol. 47, # 8 p. 1073 - 1080
  • Route2

    References

    • Yang, Yixi; Mannion, Michael R.; Dawe, Louise N.; Kraml, Christina M.; Pascal, Robert A.; Bodwell, Graham J. Journal of Organic Chemistry, 2012 , vol. 77, # 1 p. 57 - 67
  • Route3

    References

    • Schoepff Chemische Berichte, 1891 , vol. 24, p. 3768

Safety Information

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.8025
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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