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2-Chloro-1-(5-chlorothiophen-2-yl)ethan-1-one

  • CAS No. 42445-55-6

  • Cat. No. CS-0465505
  • Purity≥98%
  • MDL No.MFCD01151759

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

2-Chloro-1-(5-chlorothiophen-2-yl)ethan-1-one|CS-0465505

Structure of 42445-55-6

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General Information

  • CAS No. 42445-55-6
  • Cat. No. CS-0465505
  • Purity ≥98%
  • MDL No. MFCD01151759
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄Cl₂OS
  • Molecular Weight 195.07
  • Synonym(s) 2-Chloro-1-(5-chlorothiophen-2-yl)ethanone
  • SMILES C1=C(C(=O)CCl)SC(=C1)Cl

Synthesis

  • Route1
    • null|null
      96-43-5
    • null|null
      79-04-9
    • ~79%
    • In-stock
      2-Chloro-1-(5-chlorothiophen-2-yl)ethan-1-one|CS-0465505
      42445-55-6

    References

    • Conde, Santiago; Perez, Daniel I.; Martinez, Ana; Perez, Concepcion; Moreno, Francisco J. Journal of Medicinal Chemistry, 2003 , vol. 46, # 22 p. 4631 - 4633
  • Route2
    • Rivaroxaban impurity 4|CS-0166634
      6310-09-4
    • ~%
    • In-stock
      2-Chloro-1-(5-chlorothiophen-2-yl)ethan-1-one|CS-0465505
      42445-55-6

    References

    • Emerson; Patrick Journal of Organic Chemistry, 1948 , vol. 13, p. 729,732 Org. Synth. Coll. Vol. IV, <1963> 980

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H318-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.823
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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