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CS-W001157 4
Total: USD 88.00

Chloromethyl (4-nitrophenyl) carbonate

  • CAS No. 50780-50-2

  • Cat. No. CS-0139136
  • Molecule weight231.59
  • Purity≥97%
  • MDL No.MFCD00208111

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

Chloromethyl (4-nitrophenyl) carbonate|CS-0139136

Structure of 50780-50-2

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General Information

  • CAS No. 50780-50-2
  • Cat. No. CS-0139136
  • Purity ≥97%
  • MDL No. MFCD00208111
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₅
  • Molecular Weight 231.59
  • Synonym(s) Chlromethyl 4-nitrophenyl carbonate
  • SMILES O=C(OCCl)OC1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • null|null
      100-02-7
    • null|null
      22128-62-7
    • ~95%
    • In-stock
      Chloromethyl (4-nitrophenyl) carbonate|CS-0139136
      50780-50-2

    References

    • XenoPort, Inc. Patent: US2006/229361 A1, 2006 ; Location in patent: Page/Page column 36 ;
  • Route2
    • null|null
      100-02-7
    • In-stock
      Sodium bicarbonate|CS-0015748
      144-55-8
    • null|null
      22128-62-7
    • ~%
    • In-stock
      Chloromethyl (4-nitrophenyl) carbonate|CS-0139136
      50780-50-2

    References

    • The University of Kansas Patent: US5672584 A1, 1997 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   2.3065
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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