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CS-W001157 4
Total: USD 88.00

3-Phenoxybenzaldehyde

  • CAS No. 39515-51-0

  • Cat. No. CS-0015401
  • Purity≥98%
  • MDL No.MFCD00003353

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

3-Phenoxybenzaldehyde|CS-0015401

Structure of 39515-51-0

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General Information

  • CAS No. 39515-51-0
  • Cat. No. CS-0015401
  • Purity ≥98%
  • MDL No. MFCD00003353
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀O₂
  • Molecular Weight None
  • Synonym(s) m-Phenoxybenzaldehyde
  • SMILES O=CC1=CC=CC(OC2=CC=CC=C2)=C1

Description

3-Phenoxybenzaldehyde features a phenoxy-substituted benzaldehyde core, delivering enhanced solubility and stability in organic synthesis. The electron-withdrawing aldehyde group pairs with the ortho-phenoxy moiety to modulate reactivity, enabling efficient coupling reactions. This compound serves as a key intermediate in pharmaceuticals and agrochemicals.

Synthesis

  • Route1

    References

    • Kang, Qiao-Xiang; Luo, Ju-Jie; Bai, Yan-Bin; Yang, Zhi-Wang; Lei, Zi-Qiang Journal of Organometallic Chemistry, 2005 , vol. 690, # 26 p. 6309 - 6313
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      1-(Chloromethyl)-3-phenoxybenzene|CS-W013157
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      3-Phenoxybenzaldehyde|CS-0015401
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    References

    • Shell Oil Company Patent: US4085147 A1, 1978 ;
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      3-Fluorobenzaldehyde|CS-W013534
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      3-Phenoxybenzaldehyde|CS-0015401
      39515-51-0

    References

    • ELI LILLY AND COMPANY Patent: WO2004/52858 A2, 2004 ; Location in patent: Page 138-139 ; WO 2004/052858 A2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H330-H410
Precautionary Statements : P260-P273-P284

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.2914
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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