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CS-W001157 4
Total: USD 88.00

5-Bromovanillin

  • CAS No. 2973-76-4

  • Cat. No. CS-W001120
  • Purity≥96%
  • MDL No.MFCD00006940

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

5-Bromovanillin|CS-W001120

Structure of 2973-76-4

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General Information

  • CAS No. 2973-76-4
  • Cat. No. CS-W001120
  • Purity ≥96%
  • MDL No. MFCD00006940
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₃
  • Molecular Weight 231.04
  • Synonym(s) 5-Bromo-4-hydroxy-3-methoxybenzaldehyde; 5-Bromovanillin
  • SMILES COc1cc(C=O)cc(c1O)Br

Description

5-Bromovanillin was used to enrich the metabolically stable anaerobic cultures to study dechlorination of chlorocatechols. It was also used to prepare 2, 5-dihydroxy-4-methoxy-6-bromobenzaldehyde and 5-bromovanillate.

Synthesis

  • Route1
    • 2-Bromo-6-methoxy-4-methylphenol|CS-1323453
      71119-08-9
    • ~86%
    • In-stock
      5-Bromovanillin|CS-W001120
      2973-76-4

    References

    • Jiang, Jian-An; Du, Jia-Lei; Liao, Dao-Hua; Wang, Zhan-Guo; Ji, Ya-Fei Tetrahedron Letters, 2014 , vol. 55, # 8 p. 1406 - 1411
  • Route2
    • null|null
      108-20-3
    • Vanillin, ≥97%|CS-1268660
      121-33-5
    • ~89%
    • In-stock
      5-Bromovanillin|CS-W001120
      2973-76-4

    References

    • Rhone-Poulenc Specialites Chimiques Patent: US4551558 A1, 1985 ;
  • Route3
    • Vanillin, ≥97%|CS-1268660
      121-33-5
    • ~99%
    • In-stock
      3-Bromo-4,5-dihydroxybenzaldehyde|CS-0103468
      16414-34-9
    • 2,3-Dibromo-4,5-Dihydroxybenzaldehyde|CS-0767466
      14045-41-1
    • null|null
      38926-85-1
    • In-stock
      5-Bromovanillin|CS-W001120
      2973-76-4

    References

    • Afanas'eva, V. L.; Lyubeshkin, A. V.; Kovaleva, S. S.; Bagreeva, M. R.; Anisimova, O. S.; Glushkov, R. G. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 11 p. 805 - 809 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 11 p. 1367 - 1371

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335-H412
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.9758
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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