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CS-W001157 4
Total: USD 88.00

4-Bromo-3-methyl-2-nitrophenol

  • CAS No. 85598-12-5

  • Cat. No. CS-0050984
  • Purity≥95%
  • MDL No.None

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

4-Bromo-3-methyl-2-nitrophenol|CS-0050984

Structure of 85598-12-5

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General Information

  • CAS No. 85598-12-5
  • Cat. No. CS-0050984
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrNO₃
  • Molecular Weight 232.03
  • Synonym(s) Phenol, 4-bromo-3-methyl-2-nitro-
  • SMILES CC1=C(C(O)=CC=C1Br)[N+]([O-])=O

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GmbH; CARSON, Rebekah J.; FADER, Lee; KAWAI, Stephen; LANDRY, Serge Patent: WO2009/62288 A1, 2009 ; Location in patent: Page/Page column 60-61 ;
  • Route2

    References

    • Sumitomo Pharmaceutical Co., Ltd. Patent: US6169107 A, 2001 ; US 6169107 B1
  • Route3
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      108-39-4
    • ~%
    • In-stock
      4-Bromo-3-methyl-2-nitrophenol|CS-0050984
      85598-12-5

    References

    • Yang, Cai-Guang; Wang, Jun; Jiang, Biao Tetrahedron Letters, 2002 , vol. 43, # 6 p. 1063 - 1066

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   2.37132
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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