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CS-W001157 4
Total: USD 88.00

2-(2-Bromo-4-(tert-butyl)phenoxy)acetic acid

  • CAS No. 117947-05-4

  • Cat. No. CS-0318752
  • Purity≥98%
  • MDL No.None

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

2-(2-Bromo-4-(tert-butyl)phenoxy)acetic acid|CS-0318752

Structure of 117947-05-4

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General Information

  • CAS No. 117947-05-4
  • Cat. No. CS-0318752
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BrO₃
  • Molecular Weight 287.15
  • Synonym(s) 2-[2-Bromo-4-(tert-butyl)phenoxy]acetic acid
  • SMILES CC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)Br

Synthesis

  • Route1
    • null|null
      953091-05-9
    • ~89%
    • In-stock
      2-(2-Bromo-4-(tert-butyl)phenoxy)acetic acid|CS-0318752
      117947-05-4

    References

    • AMOREPACIFIC CORPORATION Patent: WO2007/120012 A1, 2007 ; Location in patent: Page/Page column 105 ; WO 2007/120012 A1
  • Route2
    • null|null
      105-36-2
    • ~%
    • In-stock
      2-(2-Bromo-4-(tert-butyl)phenoxy)acetic acid|CS-0318752
      117947-05-4

    References

    • Newman; Fones; Renoll Journal of the American Chemical Society, 1947 , vol. 69, p. 718,721
  • Route3
    • null|null
      1435933-50-8
    • ~%
    • In-stock
      2-(2-Bromo-4-(tert-butyl)phenoxy)acetic acid|CS-0318752
      117947-05-4

    References

    • Takahashi, Eiki; Hirano, Noriyuki; Nagahara, Takashi; Yoshikawa, Satoru; Momen, Shinobu; Yokokawa, Hiroshi; Hayashi, Ryoji Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 11 p. 3154 - 3156

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-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   46.53
  • LogP   3.21
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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