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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-(methylsulfonyl)phenol

  • CAS No. 859538-50-4

  • Cat. No. CS-0459145
  • Molecule weight190.19
  • Purity≥98%
  • MDL No.None

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

3-Fluoro-4-(methylsulfonyl)phenol|CS-0459145

Structure of 859538-50-4

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General Information

  • CAS No. 859538-50-4
  • Cat. No. CS-0459145
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FO₃S
  • Molecular Weight 190.19
  • Synonym(s) 3-Fluoro-4-(methylsulfinyl)phenol
  • SMILES OC1=CC=C(S(=O)(C)=O)C(F)=C1

Synthesis

  • Route1
    • 3-Fluoro-4-(methylthio)phenol|CS-0444760
      13333-79-4
    • ~75%
    • 3-Fluoro-4-(methylsulfonyl)phenol|CS-0459145
      859538-50-4

    References

    • Erickson, Shawn David; Gillespie, Paul; Guertin, Kevin Richard; Karnachi, Prabha Saba; Kim, Kyungjin; Ma, Chun; McComas, Warren William; Pietranico-Cole, Sherrie Lynn; Qi, Lida; Tilley, Jefferson Wright; Zhang, Qiang Patent: US2009/286812 A1, 2009 ; Location in patent: Page/Page column 19 ;
  • Route2
    • 2-Fluoro-1-(methylsulfanyl)-4-nitrobenzene|CS-0217377
      372121-91-0
    • ~%
    • 3-Fluoro-4-(methylsulfonyl)phenol|CS-0459145
      859538-50-4

    References

    • HYUNDAI PHARM CO., LTD.; YANG, Jin; KIM, Jinwoong; LEE, Hankyu; KIM, Jaehyun; SON, Changmo; LEE, Kyuhwan; CHOI, Hyungho; KIM, Daehoon; CHOI, Hyosun; RHEE, Jaekeol Patent: WO2013/105753 A1, 2013 ;
  • Route3

    References

    • HYUNDAI PHARM CO., LTD.; YANG, Jin; KIM, Jinwoong; LEE, Hankyu; KIM, Jaehyun; SON, Changmo; LEE, Kyuhwan; CHOI, Hyungho; KIM, Daehoon; CHOI, Hyosun; RHEE, Jaekeol Patent: WO2013/105753 A1, 2013 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   0.9348
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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