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CS-W001157 4
Total: USD 88.00

4-(Fluoromethyl)benzoic acid

  • CAS No. 118507-45-2

  • Cat. No. CS-0482902
  • Molecule weight154.14
  • Purity≥98%
  • MDL No.MFCD20482169

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

4-(Fluoromethyl)benzoic acid|CS-0482902

Structure of 118507-45-2

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General Information

  • CAS No. 118507-45-2
  • Cat. No. CS-0482902
  • Purity ≥98%
  • MDL No. MFCD20482169
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂
  • Molecular Weight 154.14
  • Synonym(s) 4-fluoromethylbenzoic acid
  • SMILES OC(=O)C1=CC=C(CF)C=C1

Synthesis

  • Route1

    References

    • The United States of America as represented by the Department of Health and Human Services Patent: US5098996 A1, 1992 ;
  • Route2
    • Methyl 4-(fluoromethyl)benzoate|CS-0877543
      64299-49-6
    • ~%
    • 4-(Fluoromethyl)benzoic acid|CS-0482902
      118507-45-2

    References

    • Dainippon Sumitomo Pharma Co., Ltd. Patent: EP2060563 A1, 2009 ; Location in patent: Page/Page column 19 ;
  • Route3
    • null|null
      377732-82-6
    • Methyl 4-(fluoromethyl)benzoate|CS-0877543
      64299-49-6
    • ~%
    • 4-(Fluoromethyl)benzoic acid|CS-0482902
      118507-45-2

    References

    • Kuwabara, Kenji; Aoki, Tomiyoshi Patent: US2003/166697 A1, 2003 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H335
Precautionary Statements : P260-P261-P264-P271-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8543
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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