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CS-W001157 4
Total: USD 88.00

3-Bromo-4,5-dimethoxybenzonitrile

  • CAS No. 781654-31-7

  • Cat. No. CS-0322441
  • Purity≥97%
  • MDL No.None

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

3-Bromo-4,5-dimethoxybenzonitrile|CS-0322441

Structure of 781654-31-7

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General Information

  • CAS No. 781654-31-7
  • Cat. No. CS-0322441
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO₂
  • Molecular Weight 242.07
  • Synonym(s) 6-Brom-4-cyan-veratrol
  • SMILES COC1=CC(=CC(=C1OC)Br)C#N

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2012/28939 A1, 2012 ; Location in patent: Page/Page column 21 ;
  • Route2
    • In-stock
      3-Bromo-4-hydroxy-5-methoxybenzonitrile|CS-0308204
      52805-45-5
    • null|null
      77-78-1
    • ~94%
    • In-stock
      3-Bromo-4,5-dimethoxybenzonitrile|CS-0322441
      781654-31-7

    References

    • Wang, Chen; Dong, Jinyun; Zhang, Yanmin; Wang, Fang; Gao, Hongping; Li, Pengfei; Wang, Sicen; Zhang, Jie MedChemComm, 2013 , vol. 4, # 11 p. 1434 - 1438
  • Route3

    References

    • MedChemComm, , vol. 4, # 11 p. 1434 - 1438

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   2.33798
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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