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CS-W001157 4
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2,4,5-Trifluoro-3-methoxybenzonitrile

  • CAS No. 112811-63-9

  • Cat. No. CS-0172537
  • Purity≥98%
  • MDL No.None

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

2,4,5-Trifluoro-3-methoxybenzonitrile|CS-0172537

Structure of 112811-63-9

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General Information

  • CAS No. 112811-63-9
  • Cat. No. CS-0172537
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO
  • Molecular Weight 187.12
  • Synonym(s) 3-METHOXY-2,4,5-TRIFLUOROBENZONITRILE
  • SMILES COC1=C(C(=CC(=C1F)F)C#N)F

Synthesis

  • Route1
    • 1-Bromo-2,4,5-trifluoro-3-methoxybenzene|CS-0623200
      13332-24-6
    • null|null
      544-92-3
    • ~%
    • 2,4,5-Trifluoro-3-methoxybenzonitrile|CS-0172537
      112811-63-9

    References

    • Bioorganic and Medicinal Chemistry, , vol. 16, # 5 p. 2558 - 2569

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.98418
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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