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CS-W001157 4
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4-Acetyl-3-chlorobenzoic acid

  • CAS No. 57542-72-0

  • Cat. No. CS-0566943
  • Purity≥98%
  • MDL No.None

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

4-Acetyl-3-chlorobenzoic acid|CS-0566943

Structure of 57542-72-0

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General Information

  • CAS No. 57542-72-0
  • Cat. No. CS-0566943
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClO₃
  • Molecular Weight 198.60
  • Synonym(s) Benzoic acid,4-acetyl-3-chloro
  • SMILES O=C(C1=CC=C(C(C)=O)C(Cl)=C1)O

Synthesis

  • Route1
    • null|null
      124-38-9
    • 1-(2,4-Dichlorophenyl)ethan-1-one Ketoconazole Impurity|CS-0528658
      2234-16-4
    • ~78%
    • null|null
      2142-68-9
    • In-stock
      4-Acetyl-3-chlorobenzoic acid|CS-0566943
      57542-72-0
    • 2-Acetyl-5-chlorobenzoic acid|CS-0533688
      115382-34-8
    • null|null
      100-66-3

    References

    • Heintz, Monique; Sock, Oumar; Saboureau, Christophe; Perichon, Jacques; Troupel, Michel Tetrahedron, 1988 , vol. 44, # 6 p. 1631 - 1636
  • Route2
    • null|null
      56-23-5
    • In-stock
      1-(2-Chloro-4-methylphenyl)ethan-1-one|CS-0609091
      90649-68-6
    • null|null
      7732-18-5
    • ~%
    • In-stock
      4-Acetyl-3-chlorobenzoic acid|CS-0566943
      57542-72-0

    References

    • Ganguly; Le Fevre Journal of the Chemical Society, 1934 , p. 848,851

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

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.2408
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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