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CS-W001157 4
Total: USD 88.00

2,4-Difluoro-5-methylbenzonitrile

  • CAS No. 329314-68-3

  • Cat. No. CS-W018081
  • Purity≥98%
  • MDL No.MFCD09835341

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

2,4-Difluoro-5-methylbenzonitrile|CS-W018081

Structure of 329314-68-3

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General Information

  • CAS No. 329314-68-3
  • Cat. No. CS-W018081
  • Purity ≥98%
  • MDL No. MFCD09835341
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂N
  • Molecular Weight 153.13
  • Synonym(s) 2,4-Difluoro-5-Methyl-Benzonitrile
  • SMILES CC1=CC(C#N)=C(F)C=C1F

Synthesis

  • Route1
    • null|null
      557-21-1
    • In-stock
      1,5-Difluoro-2-iodo-4-methylbenzene|CS-0153292
      333447-42-0
    • ~42%
    • In-stock
      2,4-Difluoro-5-methylbenzonitrile|CS-W018081
      329314-68-3

    References

    • Venkatraman, Srikanth; Velazquez, Francisco; Gavalas, Stephen; Wu, Wanli; Chen, Kevin X.; Nair, Anilkumar G.; Bennett, Frank; Huang, Yuhua; Pinto, Patrick; Jiang, Yueheng; Selyutin, Oleg; Vibulbhan, Bancha; Zeng, Qingbei; Lesburg, Charles; Duca, Jose; Heimark, Larry; Huang, Hsueh-Cheng; Agrawal, Sony; Jiang, Chuan-Kui; Ferrari, Eric; Li, Cheng; Kozlowski, Joseph; Rosenblum, Stuart; Shih, Neng-Yang; George Njoroge Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 1 p. 447 - 458
  • Route2
    • null|null
      73963-98-1
    • In-stock
      1,5-Difluoro-2-iodo-4-methylbenzene|CS-0153292
      333447-42-0
    • ~41%
    • In-stock
      2,4-Difluoro-5-methylbenzonitrile|CS-W018081
      329314-68-3

    References

    • SCHERING CORPORATION Patent: WO2009/152200 A1, 2009 ; Location in patent: Page/Page column 69; 70 ;
  • Route3
    • null|null
      544-92-3
    • In-stock
      1-Bromo-2,4-difluoro-5-methylbenzene|CS-W008131
      159277-47-1
    • ~51%
    • In-stock
      2,4-Difluoro-5-methylbenzonitrile|CS-W018081
      329314-68-3

    References

    • Shibata, Norio; Das, Biplab Kumar; Takeuchi, Yoshio Journal of the Chemical Society, Perkin Transactions 1, 2000 , # 24 p. 4234 - 4236

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.1449
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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