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CS-W001157 4
Total: USD 88.00

2-(3'-Chloro-[1,1'-biphenyl]-4-yl)aceticacid

  • CAS No. 5001-94-5

  • Cat. No. CS-0171119
  • Purity≥98%
  • MDL No.None

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

2-(3'-Chloro-[1,1'-biphenyl]-4-yl)aceticacid|CS-0171119

Structure of 5001-94-5

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General Information

  • CAS No. 5001-94-5
  • Cat. No. CS-0171119
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁ClO₂
  • Molecular Weight 246.69
  • Synonym(s) 2-(3'-Chloro-[1,1'-biphenyl]-4-yl)acetic acid
  • SMILES C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)CC(=O)O

Synthesis

  • Route1
    • null|null
      910330-17-5
    • ~80%
    • 2-(3'-Chloro-[1,1'-biphenyl]-4-yl)aceticacid|CS-0171119
      5001-94-5

    References

    • Ghoneim, Ola M.; Legere, Jacqueline A.; Golbraikh, Alexander; Tropsha, Alexander; Booth, Raymond G. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 19 p. 6640 - 6658
  • Route2

    References

    • Ghoneim, Ola M.; Legere, Jacqueline A.; Golbraikh, Alexander; Tropsha, Alexander; Booth, Raymond G. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 19 p. 6640 - 6658
  • Route3

    References

    • Ghoneim, Ola M.; Legere, Jacqueline A.; Golbraikh, Alexander; Tropsha, Alexander; Booth, Raymond G. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 19 p. 6640 - 6658

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.6341
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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