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CS-W001157 4
Total: USD 88.00

3-((Difluoromethyl)thio)benzoic acid

  • CAS No. 4837-24-5

  • Cat. No. CS-0345421
  • Purity≥98%
  • MDL No.None

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

3-((Difluoromethyl)thio)benzoic acid|CS-0345421

Structure of 4837-24-5

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General Information

  • CAS No. 4837-24-5
  • Cat. No. CS-0345421
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂S
  • Molecular Weight 204.19
  • Synonym(s) 3-(Difluoromethylthio)benzoic acid
  • SMILES O=C(O)C1=CC=CC(SC(F)F)=C1

Synthesis

  • Route1
    • null|null
      75-45-6
    • null|null
      4869-59-4
    • ~%
    • In-stock
      3-((Difluoromethyl)thio)benzoic acid|CS-0345421
      4837-24-5

    References

    • Nihon Nohyaku Co., Ltd. Patent: EP1544202 A1, 2005 ; Location in patent: Page/Page column 50-51 ;
  • Route2

    References

    • De Cat,A. et al. Bulletin des Societes Chimiques Belges, 1965 , vol. 74, p. 270 - 280
  • Route3
    • (3-Bromophenyl)(difluoromethyl)sulfane|CS-0875140
      4837-13-2
    • ~%
    • In-stock
      3-((Difluoromethyl)thio)benzoic acid|CS-0345421
      4837-24-5

    References

    • De Cat,A. et al. Bulletin des Societes Chimiques Belges, 1965 , vol. 74, p. 270 - 280

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6995
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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