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CS-W001157 4
Total: USD 88.00

3,6-DCSA

  • CAS No. 3401-80-7

  • Cat. No. CS-0157191
  • Molecule weight207.01
  • Purity≥98%
  • MDL No.MFCD00155381

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

3,6-DCSA|CS-0157191

Structure of 3401-80-7

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General Information

  • CAS No. 3401-80-7
  • Cat. No. CS-0157191
  • Purity ≥98%
  • MDL No. MFCD00155381
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄Cl₂O₃
  • Molecular Weight 207.01
  • Synonym(s) OTAVA-BB BB7020410042
  • SMILES O=C(O)C=1C(Cl)=CC=C(Cl)C1O

Synthesis

  • Route1
    • null|null
      60-29-7
    • ~%
    • 3,6-DCSA|CS-0157191
      3401-80-7

    References

    • US4161611 A1, ;
  • Route2
    • null|null
      583-78-8
    • null|null
      68938-81-8
    • ~%
    • 3,6-DCSA|CS-0157191
      3401-80-7

    References

    • US4232172 A1, ;
  • Route3

    References

    • ACS Chemical Biology, , vol. 8, # 8 p. 1687 - 1691

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   57.53
  • LogP   2.3972
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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