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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-(methylsulfonyl)benzaldehyde

  • CAS No. 254878-95-0

  • Cat. No. CS-0450397
  • Purity≥98%
  • MDL No.None

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

3-Fluoro-4-(methylsulfonyl)benzaldehyde|CS-0450397

Structure of 254878-95-0

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General Information

  • CAS No. 254878-95-0
  • Cat. No. CS-0450397
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃S
  • Molecular Weight 202.20
  • Synonym(s) 3-Fluoro-4-(methanesulfonyl)benzaldehyde
  • SMILES CS(=O)(=O)C1=C(C=C(C=C1)C=O)F

Synthesis

  • Route1
    • 3,4-Difluorobenzaldehyde  Ticagrelor Impurity|CS-0167233
      34036-07-2
    • In-stock
      Sodium methanesulfinate|CS-0019422
      20277-69-4
    • ~83%
    • In-stock
      3-Fluoro-4-(methylsulfonyl)benzaldehyde|CS-0450397
      254878-95-0

    References

    • AUCKLAND UNISERVICES LIMITED; VICTORIA LINK LIMITED; SMAILL, Jeffrey Bruce; PATTERSON, Adam Vorn; ASHOORZADEH, Amir; GUISE, Christopher Paul; MOWDAY, Alexandra Marie; ACKERLEY, David Francis; WILLIAMS, Elsie May; COPP, Janine Naomi Patent: WO2014/31012 A1, 2014 ; Location in patent: Page/Page column 51 ;
  • Route2
    • 3,4-Difluorobenzaldehyde  Ticagrelor Impurity|CS-0167233
      34036-07-2
    • ~81%
    • In-stock
      3-Fluoro-4-(methylsulfonyl)benzaldehyde|CS-0450397
      254878-95-0

    References

    • Hirt, Hans; Haenggi, Ruedi; Reyes, Jesus; Seeger-Weibel, Manuela; Gallou, Fabrice Organic Process Research and Development, 2008 , vol. 12, # 1 p. 111 - 115
  • Route3
    • 3,4-Difluorobenzaldehyde  Ticagrelor Impurity|CS-0167233
      34036-07-2
    • In-stock
      Sodium methanesulfonate|CS-0084592
      2386-57-4
    • ~%
    • In-stock
      3-Fluoro-4-(methylsulfonyl)benzaldehyde|CS-0450397
      254878-95-0

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2007/134827 A1, 2007 ; Location in patent: Page/Page column 28 ; WO 2007/134827 A1

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   51.21
  • LogP   1.0417
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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