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CS-W001157 4
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5-(Fluorosulfonyl)-2-methylbenzoic acid

  • CAS No. 21346-65-6

  • Cat. No. CS-0253808
  • Molecule weight218.20
  • Purity≥95%
  • MDL No.None

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

5-(Fluorosulfonyl)-2-methylbenzoic acid|CS-0253808

Structure of 21346-65-6

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General Information

  • CAS No. 21346-65-6
  • Cat. No. CS-0253808
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₄S
  • Molecular Weight 218.20
  • Synonym(s) 5-fluorosulfonyl-2-methyl-benzoic acid
  • SMILES O=C(O)C1=CC(S(=O)(F)=O)=CC=C1C

Synthesis

  • Route1

    References

    • Grimster, Neil P.; Connelly, Stephen; Baranczak, Aleksandra; Dong, Jiajia; Krasnova, Larissa B.; Sharpless, K. Barry; Powers, Evan T.; Wilson, Ian A.; Kelly, Jeffery W. Journal of the American Chemical Society, 2013 , vol. 135, # 15 p. 5656 - 5668
  • Route2
    • o-Toluic acid Tolvaptan  Impurity|CS-0229343
      118-90-1
    • ~%
    • In-stock
      5-(Fluorosulfonyl)-2-methylbenzoic acid|CS-0253808
      21346-65-6

    References

    • Grimster, Neil P.; Connelly, Stephen; Baranczak, Aleksandra; Dong, Jiajia; Krasnova, Larissa B.; Sharpless, K. Barry; Powers, Evan T.; Wilson, Ian A.; Kelly, Jeffery W. Journal of the American Chemical Society, 2013 , vol. 135, # 15 p. 5656 - 5668

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.35142
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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