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CS-W001157 4
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Methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate

  • CAS No. 457947-61-4

  • Cat. No. CS-0532541
  • Purity≥98%
  • MDL No.None

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

Methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate|CS-0532541

Structure of 457947-61-4

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General Information

  • CAS No. 457947-61-4
  • Cat. No. CS-0532541
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClN₂O₅
  • Molecular Weight 260.63
  • Synonym(s) Benzoic acid, 4-amino-5-chloro-2-methoxy-3-nitro-, methyl ester
  • SMILES O=C(C1=CC(Cl)=C(C([N+]([O-])=O)=C1OC)N)OC

Synthesis

  • Route1
    • null|null
      126463-85-2
    • ~99%
    • Methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate|CS-0532541
      457947-61-4

    References

    • InterMune, Inc. Patent: US2011/152246 A1, 2011 ; Location in patent: Page/Page column 193 ;
  • Route2

    References

    • Renneberg, Dorte; Dervan, Peter B. Journal of the American Chemical Society, 2003 , vol. 125, # 19 p. 5707 - 5716

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   104.69
  • LogP   1.6256
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   3

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