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CS-W001157 4
Total: USD 88.00

4-Fluoro-2-methyl-5-nitrophenol

  • CAS No. 122455-84-9

  • Cat. No. CS-0117812
  • Molecule weight171.13
  • Purity≥97%
  • MDL No.MFCD07779286

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

4-Fluoro-2-methyl-5-nitrophenol|CS-0117812

Structure of 122455-84-9

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General Information

  • CAS No. 122455-84-9
  • Cat. No. CS-0117812
  • Purity ≥97%
  • MDL No. MFCD07779286
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO₃
  • Molecular Weight 171.13
  • Synonym(s) 5-Fluoro-2-hydroxy-4-nitrotoluene, 4-Fluoro-5-nitro-o-cresol
  • SMILES OC1=CC([N+]([O-])=O)=C(F)C=C1C

Synthesis

  • Route1
    • null|null
      123401-18-3
    • ~99%
    • 4-Fluoro-2-methyl-5-nitrophenol|CS-0117812
      122455-84-9

    References

    • Zeneca Limited; Zeneca Pharma S.A. Patent: US6809097 B1, 2004 ; Location in patent: Page column 38-39 ; US 6809097 B1
  • Route2
    • 4-Fluoro-2-methylphenyl methyl carbonate|CS-0457278
      122455-86-1
    • ~22%
    • 4-Fluoro-2-methyl-5-nitrophenol|CS-0117812
      122455-84-9

    References

    • Zeneca Limited Patent: US6184225 B2, 2001 ;
  • Route3

    References

    • Hennequin, Laurent F.; Thomas, Andrew P.; Johnstone, Craig; Stokes, Elaine S. E.; Ple, Patrick A.; Lohmann, Jean-Jacques M.; Ogilvie, Donald J.; Dukes, Mike; Wedge, Steve R.; Curwen, Jon O.; Kendrew, Jane; Lambert-Van Der Brempt, Christine Journal of Medicinal Chemistry, 1999 , vol. 42, # 26 p. 5369 - 5389

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.74792
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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