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CS-W001157 4
Total: USD 88.00

4-(4-Chlorophenyl)oxane-4-carboxylic acid

  • CAS No. 3648-57-5

  • Cat. No. CS-0216671
  • Purity≥98%
  • MDL No.None

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

4-(4-Chlorophenyl)oxane-4-carboxylic acid|CS-0216671

Structure of 3648-57-5

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General Information

  • CAS No. 3648-57-5
  • Cat. No. CS-0216671
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃ClO₃
  • Molecular Weight 240.68
  • Synonym(s) 4-(4-CHLORO-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
  • SMILES C1=C(C=CC(=C1)Cl)C2(CCOCC2)C(=O)O

Synthesis

  • Route1
    • 4-(4-Chlorophenyl)tetrahydro-2H-pyran-4-carbonitrile|CS-0205574
      3648-74-6
    • ~87%
    • 4-(4-Chlorophenyl)oxane-4-carboxylic acid|CS-0216671
      3648-57-5

    References

    • Dainippon Sumitomo Pharma Co., Ltd. Patent: EP2060563 A1, 2009 ; Location in patent: Page/Page column 19 ;
  • Route2

    References

    • Aquila, Brian M.; Bannister, Thomas D.; Cuny, Gregory D.; Hauske, James R.; Holland, Joanne M.; Persons, Paul E.; Radeke, Heike; Wang, Fengjiang; Shao, Liming Patent: US2003/50309 A1, 2003 ; US 20030050309 A1
  • Route3

    References

    • Cuny, Gregory D.; Hauske, James R.; Heffernan, Michele L.R.; Holland, Joanne M.; Persons, Paul E.; Radeke, Heike Patent: US2003/105071 A1, 2003 ; US 20030105071 A1

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   46.53
  • LogP   2.4728
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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