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CS-W001157 4
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4-(4-Hydroxybut-1-yn-1-yl)benzaldehyde

  • CAS No. 544707-13-3

  • Cat. No. CS-0453485
  • Purity≥98%
  • MDL No.MFCD03406287

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

4-(4-Hydroxybut-1-yn-1-yl)benzaldehyde|CS-0453485

Structure of 544707-13-3

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General Information

  • CAS No. 544707-13-3
  • Cat. No. CS-0453485
  • Purity ≥98%
  • MDL No. MFCD03406287
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂
  • Molecular Weight 174.20
  • Synonym(s) 4-(4-hydroxybut-1-ynyl)benzaldehyde
  • SMILES C(#CC1=CC=C(C=C1)C=O)CCO

Synthesis

  • Route1

    References

    • Lee-Dutra, Alice; Arienti, Kristen L.; Buzard, Daniel J.; Hack, Michael D.; Khatuya, Haripada; Desai, Pragnya J.; Nguyen, Steven; Thurmond, Robin L.; Karlsson, Lars; Edwards, James P.; Breitenbucher, J. Guy Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 23 p. 6043 - 6048

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   37.3
  • LogP   1.233
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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