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CS-W001157 4
Total: USD 88.00

5-Fluoro-1-benzothiophene-3-carboxylic acid

  • CAS No. 40740-57-6

  • Cat. No. CS-0215560
  • Molecule weight196.20
  • Purity≥96%
  • MDL No.None

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

5-Fluoro-1-benzothiophene-3-carboxylic acid|CS-0215560

Structure of 40740-57-6

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General Information

  • CAS No. 40740-57-6
  • Cat. No. CS-0215560
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅FO₂S
  • Molecular Weight 196.20
  • Synonym(s) 5-Fluoro-benzo[b]thiophene-3-carboxylic acid
  • SMILES C1=CC2=C(C=C1F)C(=CS2)C(=O)O

Synthesis

  • Route1
    • 5-Fluorobenzo[b]thiophene|CS-0208949
      70060-12-7
    • ~%
    • 5-Fluoro-1-benzothiophene-3-carboxylic acid|CS-0215560
      40740-57-6

    References

    • Mitsumori, Susumu; Tsuri, Tatsuo; Honma, Tsunetoshi; Hiramatsu, Yoshiharu; Okada, Toshihiko; Hashizume, Hiroshi; Inagaki, Masanao; Arimura, Akinori; Yasui, Kiyoshi; Asanuma, Fujio; Kishino, Junji; Ohtani, Mitsuaki Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2446 - 2455
  • Route2

    References

    • Mitsumori, Susumu; Tsuri, Tatsuo; Honma, Tsunetoshi; Hiramatsu, Yoshiharu; Okada, Toshihiko; Hashizume, Hiroshi; Inagaki, Masanao; Arimura, Akinori; Yasui, Kiyoshi; Asanuma, Fujio; Kishino, Junji; Ohtani, Mitsuaki Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2446 - 2455
  • Route3
    • (2,2-Dimethoxyethyl)(4-fluorophenyl)sulfane|CS-0304763
      874357-16-1
    • ~%
    • 5-Fluoro-1-benzothiophene-3-carboxylic acid|CS-0215560
      40740-57-6

    References

    • Mitsumori, Susumu; Tsuri, Tatsuo; Honma, Tsunetoshi; Hiramatsu, Yoshiharu; Okada, Toshihiko; Hashizume, Hiroshi; Inagaki, Masanao; Arimura, Akinori; Yasui, Kiyoshi; Asanuma, Fujio; Kishino, Junji; Ohtani, Mitsuaki Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2446 - 2455

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7386
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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