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CS-W001157 4
Total: USD 88.00

4-(2-Methyloxiran-2-yl)benzonitrile

  • CAS No. 104953-00-6

  • Cat. No. CS-0568560
  • Molecule weight159.18
  • Purity≥98%
  • MDL No.None

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

4-(2-Methyloxiran-2-yl)benzonitrile|CS-0568560

Structure of 104953-00-6

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General Information

  • CAS No. 104953-00-6
  • Cat. No. CS-0568560
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight 159.18
  • Synonym(s) 4-(2-Methyloxiranyl)benzonitrile
  • SMILES N#CC1=CC=C(C2(C)OC2)C=C1

Synthesis

  • Route1
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • In-stock
      Trimethylsulfonium iodide|CS-W008974
      2181-42-2
    • ~92%
    • In-stock
      4-(2-Methyloxiran-2-yl)benzonitrile|CS-0568560
      104953-00-6

    References

    • Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement Journal of the American Chemical Society, 2013 , vol. 135, # 16 p. 6177 - 6183
  • Route2
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • null|null
      70775-39-2
    • ~74%
    • In-stock
      4-(2-Methyloxiran-2-yl)benzonitrile|CS-0568560
      104953-00-6

    References

    • Cleij; Archelas; Furstoss Journal of Organic Chemistry, 1999 , vol. 64, # 14 p. 5029 - 5035

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   36.32
  • LogP   1.80368
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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