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CS-W001157 4
Total: USD 88.00

o-Chlorophenyl thioacetate

  • CAS No. 18619-18-6

  • Cat. No. CS-B1577
  • Purity≥98%
  • MDL No.MFCD01910097

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

o-Chlorophenyl thioacetate|CS-B1577

Structure of 18619-18-6

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General Information

  • CAS No. 18619-18-6
  • Cat. No. CS-B1577
  • Purity ≥98%
  • MDL No. MFCD01910097
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₂S
  • Molecular Weight 202.66
  • Synonym(s) 2-[(2-Chlorophenyl)thio]acetic acid; (2-Chlorophenylsulfanyl)acetic acid; O-Chlorophenyl thioacetic acid
  • SMILES O=C(O)CSC1=CC=CC=C1Cl

Synthesis

  • Route1

    References

    • EMISPHERE TECHNOLOGIES, INC.; WANG, Nai, Fang; SARAF, Sushma; PUSZTAY, Stephen, V. Patent: WO2008/14430 A1, 2008 ; Location in patent: Page/Page column 47 ;
  • Route2
    • null|null
      140-89-6
    • ~%
    • o-Chlorophenyl thioacetate|CS-B1577
      18619-18-6

    References

    • Dalgliesh; Mann Journal of the Chemical Society, 1945 , p. 893,900
  • Route3
    • null|null
      68-11-1
    • null|null
      95-51-2
    • ~34%
    • o-Chlorophenyl thioacetate|CS-B1577
      18619-18-6

    References

    • Yildirir, Y.; Okay, G. Organic Preparations and Procedures International, 1991 , vol. 23, # 2 p. 198 - 200

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   37.3
  • LogP   2.5167
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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