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CS-W001157 4
Total: USD 88.00

3-(3-Chlorophenyl)propan-1-ol

  • CAS No. 22991-03-3

  • Cat. No. CS-0212562
  • Molecule weight170.64
  • Purity≥96%
  • MDL No.MFCD09028713

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

3-(3-Chlorophenyl)propan-1-ol|CS-0212562

Structure of 22991-03-3

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General Information

  • CAS No. 22991-03-3
  • Cat. No. CS-0212562
  • Purity ≥96%
  • MDL No. MFCD09028713
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClO
  • Molecular Weight 170.64
  • Synonym(s) 3-(3-CHLORO-PHENYL)-PROPAN-1-OL
  • SMILES C1=CC(=CC(=C1)Cl)CCCO

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2005/44266 A1, 2005 ; Location in patent: Page/Page column 13 ; WO 2005/044266 A1
  • Route2
    • Ethyl 3-(3-chlorophenyl)acrylate|CS-0347972
      2373-88-8
    • ~%
    • 3-(3-Chlorophenyl)propan-1-ol|CS-0212562
      22991-03-3

    References

    • Tanaka, Ryoichi; Yuza, Akio; Watai, Yuko; Suzuki, Daisuke; Takayama, Yuuki; Sato, Fumie; Urabe, Hirokazu Journal of the American Chemical Society, 2005 , vol. 127, # 21 p. 7774 - 7780
  • Route3
    • Methyl 3-(3-chlorophenyl)acrylate|CS-0369107
      42175-03-1
    • ~%
    • 3-(3-Chlorophenyl)propan-1-ol|CS-0212562
      22991-03-3

    References

    • Hamilton, Gregory S.; Wu, Yong-Qian; Limburg, David C.; Wilkinson, Douglas E.; Vaal, Mark J.; Li, Jia-He; Thomas, Christine; Huang, Wei; Sauer, Hansjorg; Ross, Douglas T.; Soni, Raj; Chen, Yi; Guo, Hongshi; Howorth, Pamela; Valentine, Heather; Liang, Shi; Spicer, Dawn; Fuller, Mike; Steiner, Joseph P. Journal of Medicinal Chemistry, 2002 , vol. 45, # 16 p. 3549 - 3557

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   20.23
  • LogP   2.2649
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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