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3-(2-Fluoro-4-methylphenyl)propanoic acid

  • CAS No. 852181-17-0

  • Cat. No. CS-0456244
  • Molecule weight182.19
  • Purity≥98%
  • MDL No.None

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

3-(2-Fluoro-4-methylphenyl)propanoic acid|CS-0456244

Structure of 852181-17-0

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General Information

  • CAS No. 852181-17-0
  • Cat. No. CS-0456244
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁FO₂
  • Molecular Weight 182.19
  • Synonym(s) 3-(2-FLUORO-4-METHYLPHENYL)PROPIONIC ACID
  • SMILES CC1=CC(=C(C=C1)CCC(=O)O)F

Synthesis

  • Route1

    References

    • Parsons, Jack G.; Stachurska-Buczek, Danuta; Choi, Neil; Griffiths, Peter G.; Huggins, Daniel A.; Krywult, Beata M.; Marino, Sharon T.; Nguyen, Thao; Sheehan, Craig S.; James, Ian W.; Bray, Andrew M.; White, Jonathan M.; Boyce, Rustum S. Molecules, 2004 , vol. 9, # 6 p. 449 - 458
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    • 3-(2-Fluoro-4-methylphenyl)propanoic acid|CS-0456244
      852181-17-0

    References

    • Parsons, Jack G.; Stachurska-Buczek, Danuta; Choi, Neil; Griffiths, Peter G.; Huggins, Daniel A.; Krywult, Beata M.; Marino, Sharon T.; Nguyen, Thao; Sheehan, Craig S.; James, Ian W.; Bray, Andrew M.; White, Jonathan M.; Boyce, Rustum S. Molecules, 2004 , vol. 9, # 6 p. 449 - 458

Safety Information

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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   37.3
  • LogP   2.15132
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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