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CS-W001157 4
Total: USD 88.00

3-Bromo-4-methyl-5-nitro-benzoic acid methyl ester

  • CAS No. 223519-08-2

  • Cat. No. CS-0061181
  • Purity≥97%
  • MDL No.MFCD07367995

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

3-Bromo-4-methyl-5-nitro-benzoic acid methyl ester|CS-0061181

Structure of 223519-08-2

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General Information

  • CAS No. 223519-08-2
  • Cat. No. CS-0061181
  • Purity ≥97%
  • MDL No. MFCD07367995
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO₄
  • Molecular Weight 274.07
  • Synonym(s) Methyl 3-bromo-4-methyl-5-nitrobenzoate
  • SMILES CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)Br

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Bromo-4-methyl-5-nitrobenzoic acid|CS-0061180
      34545-20-5
    • ~92%
    • In-stock
      3-Bromo-4-methyl-5-nitro-benzoic acid methyl ester|CS-0061181
      223519-08-2

    References

    • Brzozowski, Martin; O'Brien, Nathan J.; Wilson, David J.D.; Abbott, Belinda M. Tetrahedron, 2014 , vol. 70, # 2 p. 318 - 326
  • Route2

    References

    • Brzozowski, Martin; O'Brien, Nathan J.; Wilson, David J.D.; Abbott, Belinda M. Tetrahedron, 2014 , vol. 70, # 2 p. 318 - 326

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   69.44
  • LogP   2.45232
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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