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CS-W001157 4
Total: USD 88.00

Methyl 2-(2,4-dinitrophenyl)acetate

  • CAS No. 58605-12-2

  • Cat. No. CS-0130247
  • Purity95+%
  • MDL No.MFCD00047704

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

Methyl 2-(2,4-dinitrophenyl)acetate|CS-0130247

Structure of 58605-12-2

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General Information

  • CAS No. 58605-12-2
  • Cat. No. CS-0130247
  • Purity 95+%
  • MDL No. MFCD00047704
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₆
  • Molecular Weight 240.17
  • Synonym(s) None
  • SMILES O=C(OC)CC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • 2,4-Dinitrophenylacetic acid|CS-0204626
      643-43-6
    • null|null
      18107-18-1
    • ~99%
    • Methyl 2-(2,4-dinitrophenyl)acetate|CS-0130247
      58605-12-2

    References

    • Schering AG Patent: US2004/39019 A1, 2004 ; Location in patent: Page/Page column 5-6 ; US 20040039019 A1
  • Route2
    • null|null
      67-56-1
    • 2,4-Dinitrophenylacetic acid|CS-0204626
      643-43-6
    • ~%
    • Methyl 2-(2,4-dinitrophenyl)acetate|CS-0130247
      58605-12-2

    References

    • Chemische Berichte, , vol. 42, p. 1317 Chemische Berichte, , vol. 21, p. 1307
  • Route3
    • null|null
      99-65-0
    • null|null
      96-34-4
    • ~46%
    • Methyl 2-(2,4-dinitrophenyl)acetate|CS-0130247
      58605-12-2

    References

    • Maruoka, Hiroshi; Tomioka, Yukihiko Journal of Heterocyclic Chemistry, 2003 , vol. 40, # 6 p. 1051 - 1057

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   112.58
  • LogP   1.2185
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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