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CS-W001157 4
Total: USD 88.00

Methyl 4-chloro-3,5-dinitrobenzoate

  • CAS No. 2552-45-6

  • Cat. No. CS-0361862
  • Molecule weight260.59
  • Purity≥98%
  • MDL No.None

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

Methyl 4-chloro-3,5-dinitrobenzoate|CS-0361862

Structure of 2552-45-6

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General Information

  • CAS No. 2552-45-6
  • Cat. No. CS-0361862
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClN₂O₆
  • Molecular Weight 260.59
  • Synonym(s) Benzoic acid, 4-chloro-3,5-dinitro-, methyl ester
  • SMILES COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      118-97-8
    • ~89%
    • Methyl 4-chloro-3,5-dinitrobenzoate|CS-0361862
      2552-45-6

    References

    • The Upjohn Company Patent: US3993679 A1, 1976 ;
  • Route2
    • null|null
      67-56-1
    • null|null
      118-97-8
    • ~99%
    • Methyl 4-chloro-3,5-dinitrobenzoate|CS-0361862
      2552-45-6

    References

    • AstraZeneca AB; NPS PHARMACEUTICALS Patent: US2007/32469 A1, 2007 ; Location in patent: Page/Page column 37-38 ; US 20070032469 A1
  • Route3
    • null|null
      118-97-8
    • ~95%
    • Ethyl 4-chloro-3,5-dinitrobenzoate|CS-0576276
      19649-81-1
    • Methyl 4-chloro-3,5-dinitrobenzoate|CS-0361862
      2552-45-6

    References

    • Budapesti Vegyimuvek Patent: US4806151 A1, 1989 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   112.58
  • LogP   1.943
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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