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CS-W001157 4
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Benzyl 3-chloro-5-hydroxybenzoate

  • CAS No. 245116-17-0

  • Cat. No. CS-0336242
  • Molecule weight262.69
  • Purity≥95%
  • MDL No.None

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

Benzyl 3-chloro-5-hydroxybenzoate|CS-0336242

Structure of 245116-17-0

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General Information

  • CAS No. 245116-17-0
  • Cat. No. CS-0336242
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁ClO₃
  • Molecular Weight 262.69
  • Synonym(s) 3-CHLORO-5-HYDROXY-BENZOIC ACID BENZYL ESTER
  • SMILES C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)O)Cl

Synthesis

  • Route1
    • null|null
      245116-16-9
    • ~93%
    • Benzyl 3-chloro-5-hydroxybenzoate|CS-0336242
      245116-17-0

    References

    • Lu, Tianbao; Markotan, Thomas; Coppo, Frank; Tomczuk, Bruce; Crysler, Carl; Eisennagel, Stephen; Spurlino, John; Gremminger, Lisa; Soll, Richard M.; Giardino, Edward C.; Bone, Roger Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 14 p. 3727 - 3731
  • Route2

    References

    • Lu, Tianbao; Markotan, Thomas; Coppo, Frank; Tomczuk, Bruce; Crysler, Carl; Eisennagel, Stephen; Spurlino, John; Gremminger, Lisa; Soll, Richard M.; Giardino, Edward C.; Bone, Roger Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 14 p. 3727 - 3731
  • Route3
    • tert-Butyl(3,5-dichlorophenoxy)dimethylsilane|CS-0628299
      126663-61-4
    • ~%
    • Benzyl 3-chloro-5-hydroxybenzoate|CS-0336242
      245116-17-0

    References

    • Lu, Tianbao; Markotan, Thomas; Coppo, Frank; Tomczuk, Bruce; Crysler, Carl; Eisennagel, Stephen; Spurlino, John; Gremminger, Lisa; Soll, Richard M.; Giardino, Edward C.; Bone, Roger Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 14 p. 3727 - 3731

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.4026
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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