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CS-W001157 4
Total: USD 88.00

1-Bromo-4-methoxy-2-methyl-5-nitrobenzene

  • CAS No. 89978-56-3

  • Cat. No. CS-0041487
  • Purity≥97%
  • MDL No.None

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

1-Bromo-4-methoxy-2-methyl-5-nitrobenzene|CS-0041487

Structure of 89978-56-3

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General Information

  • CAS No. 89978-56-3
  • Cat. No. CS-0041487
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₃
  • Molecular Weight 246.06
  • Synonym(s) None
  • SMILES O=[N+](C1=C(OC)C=C(C)C(Br)=C1)[O-]

Synthesis

  • Route1

    References

    • AbbVie Inc.; Abbott GmbH and Co. KG; Geneste, Hervé; Ochse, Michael; Drescher, Karla; Dinges, Jürgen; Jakob, Clarissa Patent: US2013/116229 A1, 2013 ; Location in patent: Paragraph 1011 ;
  • Route2

    References

    • Radchenko, Oleg S.; Sigida, Elena N.; Balaneva, Nadezhda N.; Dmitrenok, Pavel S.; Novikov, Vyacheslav L. Journal of Heterocyclic Chemistry, 2011 , vol. 48, # 1 p. 209 - 214
  • Route3

    References

    • Julia,M.; Chastrette,F. Bulletin de la Societe Chimique de France, 1962 , p. 2255 - 2261

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

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.67432
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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