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CS-W001157 4
Total: USD 88.00

Methyl 4,5-difluoro-2-nitrobenzoate

  • CAS No. 1015433-96-1

  • Cat. No. CS-0099093
  • Purity≥98%
  • MDL No.MFCD11042825

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

Methyl 4,5-difluoro-2-nitrobenzoate|CS-0099093

Structure of 1015433-96-1

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General Information

  • CAS No. 1015433-96-1
  • Cat. No. CS-0099093
  • Purity ≥98%
  • MDL No. MFCD11042825
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂NO₄
  • Molecular Weight 217.13
  • Synonym(s) methyl 3,4-difluoro-6-nitro benzoate
  • SMILES O=C(C1=CC(F)=C(C=C1[N+]([O-])=O)F)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      4,5-Difluoro-2-nitrobenzoic acid|CS-W002689
      20372-63-8
    • ~93%
    • In-stock
      Methyl 4,5-difluoro-2-nitrobenzoate|CS-0099093
      1015433-96-1

    References

    • PORTOLA PHARMACEUTICALS, INC. Patent: WO2008/36843 A2, 2008 ; Location in patent: Page/Page column 33 ; WO 2008/036843 A2
  • Route2

    References

    • US2003/229068 A1, ; Page 55 ; US 20030229068 A1
  • Route3
    • null|null
      186581-53-3
    • null|null
      67-56-1
    • In-stock
      4,5-Difluoro-2-nitrobenzoic acid|CS-W002689
      20372-63-8
    • ~%
    • In-stock
      Methyl 4,5-difluoro-2-nitrobenzoate|CS-0099093
      1015433-96-1

    References

    • WO2007/87717 A1, ; Page/Page column 63 ; WO 2007/087717 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.6596
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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