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CS-W001157 4
Total: USD 88.00

3,5-Difluoro-2-nitrobenzoic acid

  • CAS No. 331765-71-0

  • Cat. No. CS-0028788
  • Purity≥96%
  • MDL No.MFCD04035649

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

3,5-Difluoro-2-nitrobenzoic acid|CS-0028788

Structure of 331765-71-0

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General Information

  • CAS No. 331765-71-0
  • Cat. No. CS-0028788
  • Purity ≥96%
  • MDL No. MFCD04035649
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₂NO₄
  • Molecular Weight 203.10
  • Synonym(s) 2-Carboxy-4,6-difluoronitrobenzene
  • SMILES O=C(O)C1=CC(F)=CC(F)=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • PFIZER INC.; BAILEY, Simon; BURKE, Benjamin, Joseph; COLLINS, Michael, Raymond; CUI, Jingrong, Jean; DEAL, Judith, Gail; HOFFMAN, Robert, Louis; HUANG, Qinhua; JOHNSON, Ted, William; KANIA, Robert, Steven; KATH, John, Charles; LE, Phuong, Thi, Quy; MCTIGUE, Michele, Ann; PALMER, Cynthia, Louise; RICHARDSON, Paul, Francis; SACH, Neal, William Patent: WO2013/132376 A1, 2013 ; Location in patent: Page/Page column 234 ;

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   80.44
  • LogP   1.5712
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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