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CS-W001157 4
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5-Bromo-2-isobutylbenzonitrile

  • CAS No. 856167-67-4

  • Cat. No. CS-0466627
  • Molecule weight238.12
  • Purity≥98%
  • MDL No.MFCD18910889

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

5-Bromo-2-isobutylbenzonitrile|CS-0466627

Structure of 856167-67-4

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General Information

  • CAS No. 856167-67-4
  • Cat. No. CS-0466627
  • Purity ≥98%
  • MDL No. MFCD18910889
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂BrN
  • Molecular Weight 238.12
  • Synonym(s) 5-bromo-2-(2-methylpropyl)Benzonitrile
  • SMILES CC(C)CC1=CC=C(C=C1C#N)Br

Synthesis

  • Route1
    • null|null
      288251-97-8
    • ~%
    • 5-Bromo-2-isobutylbenzonitrile|CS-0466627
      856167-67-4

    References

    • GLAXO GROUP LIMITED; LIN, Xichen; REN, Feng; ZHANG, Haibo Patent: WO2011/113309 A1, 2011 ; Location in patent: Page/Page column 41-42 ; WO 2011/113309 A1
  • Route2

    References

    • GLAXO GROUP LIMITED; LIN, Xichen; REN, Feng; ZHANG, Haibo Patent: WO2011/113309 A1, 2011 ; WO 2011/113309 A1
  • Route3
    • 2-Isobutyl-5-nitrobenzonitrile|CS-0154239
      288251-96-7
    • ~%
    • 5-Bromo-2-isobutylbenzonitrile|CS-0466627
      856167-67-4

    References

    • GLAXO GROUP LIMITED; LIN, Xichen; REN, Feng; ZHANG, Haibo Patent: WO2011/113309 A1, 2011 ; WO 2011/113309 A1

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.51928
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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