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CS-W001157 4
Total: USD 88.00

1,2,4-Trifluoro-5-(methylsulfonyl)benzene

  • CAS No. 845616-49-1

  • Cat. No. CS-0212627
  • Molecule weight210.17
  • Purity≥98%
  • MDL No.MFCD12026059

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

1,2,4-Trifluoro-5-(methylsulfonyl)benzene|CS-0212627

Structure of 845616-49-1

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General Information

  • CAS No. 845616-49-1
  • Cat. No. CS-0212627
  • Purity ≥98%
  • MDL No. MFCD12026059
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃O₂S
  • Molecular Weight 210.17
  • Synonym(s) None
  • SMILES CS(=O)(=O)C1=C(C=C(C(=C1)F)F)F

Synthesis

  • Route1
    • null|null
      845616-48-0
    • null|null
      74-88-4
    • ~72%
    • 1,2,4-Trifluoro-5-(methylsulfonyl)benzene|CS-0212627
      845616-49-1

    References

    • ARRAY BIOPHARMA INC.; AICHER, Thomas Daniel; BENCSIK, Josef Roland; BOYD, Steven Armen; CONDROSKI, Kevin Ronald; FELL, Jay Bradford; FISCHER, John P.; HINKLIN, Ronald Jay; PRATT, Scott Alan; SINGH, Ajay; TURNER, Timothy M. Patent: WO2011/146335 A1, 2011 ; Location in patent: Page/Page column 59 ; WO 2011/146335 A1
  • Route2
    • null|null
      74-88-4
    • ~%
    • 1,2,4-Trifluoro-5-(methylsulfonyl)benzene|CS-0212627
      845616-49-1

    References

    • Jolidon, Synese J.; Narquizian, Robert; Nettekoven, Matthias Heinrich; Norcross, Roger David; Pinard, Emmanuel; Stalder, Henri Patent: US2005/209241 A1, 2005 ; Location in patent: Page/Page column 28 ; US 20050209241 A1
  • Route3
    • null|null
      79-08-3
    • ~%
    • 1,2,4-Trifluoro-5-(methylsulfonyl)benzene|CS-0212627
      845616-49-1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2005/121110 A1, 2005 ; Location in patent: Page/Page column 139-140 ; WO 2005/121110 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.5074
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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