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CS-W001157 4
Total: USD 88.00

4-Isopropylbenzonitrile

  • CAS No. 13816-33-6

  • Cat. No. CS-0197808
  • Purity≥97%
  • MDL No.MFCD00052966

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

4-Isopropylbenzonitrile|CS-0197808

Structure of 13816-33-6

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General Information

  • CAS No. 13816-33-6
  • Cat. No. CS-0197808
  • Purity ≥97%
  • MDL No. MFCD00052966
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N
  • Molecular Weight None
  • Synonym(s) 4-(propan-2-yl)benzonitrile
  • SMILES CC(C)C1=CC=C(C=C1)C#N

Synthesis

  • Route1

    References

    • Sridhar, Madabhushi; Reddy, Mallu Kishore Kumar; Sairam, Vangipuram Venkata; Raveendra, Jillella; Godala, Kondal Reddy; Narsaiah, Chinthala; Ramanaiah, Beeram China; Reddy, Cirandur Suresh Tetrahedron Letters, 2012 , vol. 53, # 27 p. 3421 - 3424
  • Route2
    • null|null
      3717-17-7
    • ~94%
    • In-stock
      4-Isopropylbenzonitrile|CS-0197808
      13816-33-6

    References

    • Sridhar, Madabhushi; Reddy, Mallu Kishore Kumar; Sairam, Vangipuram Venkata; Raveendra, Jillella; Godala, Kondal Reddy; Narsaiah, Chinthala; Ramanaiah, Beeram China; Reddy, Cirandur Suresh Tetrahedron Letters, 2012 , vol. 53, # 27 p. 3421 - 3424
  • Route3

    References

    • Yadav, Dilip Kumar T.; Bhanage, Bhalchandra M. European Journal of Organic Chemistry, 2013 , # 23 p. 5106 - 5110

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Danger
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H317-H319-H335-H411
Precautionary Statements : P261-P273-P280

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.68168
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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