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CS-W001157 4
Total: USD 88.00

2,3,4,5,6-Pentamethylbenzonitrile

  • CAS No. 5144-10-5

  • Cat. No. CS-0453181
  • Purity≥98%
  • MDL No.None

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

2,3,4,5,6-Pentamethylbenzonitrile|CS-0453181

Structure of 5144-10-5

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General Information

  • CAS No. 5144-10-5
  • Cat. No. CS-0453181
  • 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) Pentamethylbenzonitrile
  • SMILES CC1=C(C)C(=C(C#N)C(=C1C)C)C

Synthesis

  • Route1
    • In-stock
      1-Iodo-2,3,4,5,6-pentamethylbenzene|CS-0358184
      3853-91-6
    • null|null
      109-77-3
    • ~13%
    • 2,3,4,5,6-Pentamethylbenzonitrile|CS-0453181
      5144-10-5
    • null|null
      86489-59-0

    References

    • Suzuki, Hitomi; Kobayashi, Tsutomu; Osuka, Atsuhiro Chemistry Letters, 1983 , p. 589 - 590
  • Route2
    • Pentamethylbenzoic acid|CS-0236670
      2243-32-5
    • ~63%
    • 2,3,4,5,6-Pentamethylbenzonitrile|CS-0453181
      5144-10-5

    References

    • Rudenko; Salfetnikova; Vasil'ev Russian Journal of Organic Chemistry, 1996 , vol. 32, # 10 p. 1447 - 1470

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   23.79
  • LogP   3.10038
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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