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CS-W001157 4
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3-(3-Bromo-phenoxy)-propionic acid

  • CAS No. 18386-03-3

  • Cat. No. CS-0213194
  • Molecule weight245.07
  • Purity≥98%
  • MDL No.MFCD00774355

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

3-(3-Bromo-phenoxy)-propionic acid|CS-0213194

Structure of 18386-03-3

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General Information

  • CAS No. 18386-03-3
  • Cat. No. CS-0213194
  • Purity ≥98%
  • MDL No. MFCD00774355
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₃
  • Molecular Weight 245.07
  • Synonym(s) 3-(3-Bromophenoxy)propanoic acid
  • SMILES C1=CC(=CC(=C1)OCCC(=O)O)Br

Synthesis

  • Route1
    • 3-(3-Bromophenoxy)propan-1-ol|CS-0261274
      92584-63-9
    • ~%
    • 3-(3-Bromo-phenoxy)-propionic acid|CS-0213194
      18386-03-3

    References

    • IPSEN PHARMA S.A.S.; ONCODESIGN S.A.; HOFLACK, Jan; BLOM, Petra Patent: WO2013/46029 A1, 2013 ; Location in patent: Page/Page column 80 ;
  • Route2

    References

    • Mochida Pharmaceutical Co., Ltd. Patent: EP2518064 A1, 2012 ; Location in patent: Page/Page column 42 ;
  • Route3
    • null|null
      590-92-1
    • null|null
      591-20-8
    • ~%
    • 3-(3-Bromo-phenoxy)-propionic acid|CS-0213194
      18386-03-3

    References

    • Nikolic, Susanne; Bartel, Stephan; Brands, Michael; Niewohner, Ulrich; Paessens, Arnold; Graef, Erwin; Schlemmer, Karl-Heinz; Henninger, Kerstin; Endermann, Rainer; Weber, Olaf; Koletzki, Diana Patent: US2002/82264 A1, 2002 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.3026
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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