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CS-W001157 4
Total: USD 88.00

2-Acetoxy-5-chlorobenzoic acid

  • CAS No. 1734-62-9

  • Cat. No. CS-0212991
  • Molecule weight214.60
  • Purity95+%
  • MDL No.MFCD00096360

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

2-Acetoxy-5-chlorobenzoic acid|CS-0212991

Structure of 1734-62-9

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General Information

  • CAS No. 1734-62-9
  • Cat. No. CS-0212991
  • Purity 95+%
  • MDL No. MFCD00096360
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClO₄
  • Molecular Weight 214.60
  • Synonym(s) 2-(Acetyloxy)-5-chlorobenzoic acid
  • SMILES CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O

Synthesis

  • Route1

    References

    • EMISPHERE TECHNOLOGIES, INC. Patent: WO2005/112633 A2, 2005 ; Location in patent: Page/Page column 95 ;
  • Route2

    References

    • Jeankumar, Variam Ullas; Chandran, Manoj; Samala, Ganesh; Alvala, Mallika; Koushik, Pulla Venkat; Yogeeswari, Perumal; Salina, Elena G.; Sriram, Dharmarajan Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7414 - 7417

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H317-H318
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.9635
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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