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CS-W001157 4
Total: USD 88.00

2-(3,5-Dimethylphenyl)-2-methylpropanenitrile

  • CAS No. 93748-07-3

  • Cat. No. CS-0280400
  • Molecule weight173.25
  • Purity≥98%
  • MDL No.None

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

2-(3,5-Dimethylphenyl)-2-methylpropanenitrile|CS-0280400

Structure of 93748-07-3

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General Information

  • CAS No. 93748-07-3
  • Cat. No. CS-0280400
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N
  • Molecular Weight 173.25
  • Synonym(s) α,α,3,5-TetraMethyl-benzeneacetonitrile
  • SMILES CC1=CC(=CC(=C1)C(C)(C)C#N)C

Synthesis

  • Route1
    • 2-(3,5-Dimethylphenyl)acetonitrile|CS-W016363
      39101-54-7
    • null|null
      74-88-4
    • ~78%
    • 2-(3,5-Dimethylphenyl)-2-methylpropanenitrile|CS-0280400
      93748-07-3

    References

    • Jackson, Toby; Woo, L. W. Lawrence; Trusselle, Melanie N.; Chander, Surinder K.; Purohit, Atul; Reed, Michael J.; Potter, Barry V. L. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 18 p. 2940 - 2952
  • Route2
    • 2-(3,5-Dimethylphenyl)acetonitrile|CS-W016363
      39101-54-7
    • ~%
    • 2-(3,5-Dimethylphenyl)-2-methylpropanenitrile|CS-0280400
      93748-07-3

    References

    • Smith; Spillane Journal of the American Chemical Society, 1943 , vol. 65, p. 202,206

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   23.79
  • LogP   3.10462
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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