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CS-W001157 4
Total: USD 88.00

Methyl 3-fluoro-5-hydroxy-4-methoxybenzoate

  • CAS No. 838856-88-5

  • Cat. No. CS-0456030
  • Molecule weight200.16
  • Purity≥98%
  • MDL No.None

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

Methyl 3-fluoro-5-hydroxy-4-methoxybenzoate|CS-0456030

Structure of 838856-88-5

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General Information

  • CAS No. 838856-88-5
  • Cat. No. CS-0456030
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₄
  • Molecular Weight 200.16
  • Synonym(s) Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester (9CI)
  • SMILES COC1=C(C=C(C=C1O)C(=O)OC)F

Synthesis

  • Route1
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      115124-31-7
    • ~%
    • Methyl 3-fluoro-5-hydroxy-4-methoxybenzoate|CS-0456030
      838856-88-5
    • Methyl 2-fluoro-3-hydroxy-4-methoxybenzoate|CS-0749798
      1195945-49-3

    References

    • SANOFI-AVENTIS; PERNERSTORFER, Josef; KLEEMANN, Heinz-Werner; SCHAEFER, Matthias; SAFAROVA, Alena; PATEK, Marcel Patent: WO2011/53948 A1, 2011 ; Location in patent: Page/Page column 142-143 ; WO 2011/053948 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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   1.3265
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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