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CS-W001157 4
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3-Bromo-1-benzothiophene-2-carboxylic acid

  • CAS No. 29174-66-1

  • Cat. No. CS-0215053
  • Purity≥95%
  • MDL No.None

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

3-Bromo-1-benzothiophene-2-carboxylic acid|CS-0215053

Structure of 29174-66-1

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General Information

  • CAS No. 29174-66-1
  • Cat. No. CS-0215053
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrO₂S
  • Molecular Weight 257.10
  • Synonym(s) 3-Bromobenzothiophene-2-carboxylic acid
  • SMILES O=C(C1=C(Br)C2=CC=CC=C2S1)O

Synthesis

  • Route1

    References

    • Rao, Manam Sreenivasa; Haritha, Meda; Chandrasekhar; Basaveswara Rao, Mandava V.; Pal, Manojit Tetrahedron Letters, 2014 , vol. 55, # 9 p. 1660 - 1663
  • Route2

    References

    • Zborovskii, Yu. L.; Smirnov-Zamkov, I. V.; Staninets, V. I. Journal of Organic Chemistry USSR (English Translation), 1984 , p. 1617 - 1625 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 8 p. 1774 - 1784
  • Route3

    References

    • Tietze, Lutz F.; Lohmann, J. Klaas Synlett, 2002 , # 12 p. 2083 - 2085

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.362
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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