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CS-W001157 4
Total: USD 88.00

4-Methylisophthalonitrile

  • CAS No. 1943-88-0

  • Cat. No. CS-0153569
  • Purity≥95%
  • MDL No.MFCD09878877

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

4-Methylisophthalonitrile|CS-0153569

Structure of 1943-88-0

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General Information

  • CAS No. 1943-88-0
  • Cat. No. CS-0153569
  • Purity ≥95%
  • MDL No. MFCD09878877
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂
  • Molecular Weight 142.16
  • Synonym(s) 4-METHYL-ISOPHTHALONITRILE
  • SMILES CC1=C(C=C(C=C1)C#N)C#N

Synthesis

  • Route1
    • null|null
      95-73-8
    • null|null
      544-92-3
    • ~%
    • In-stock
      4-Methylisophthalonitrile|CS-0153569
      1943-88-0

    References

    • ALANTOS PHARMACEUTICALS, INC. Patent: WO2006/116157 A2, 2006 ; Location in patent: Page/Page column 87-88 ; WO 2006/116157 A2
  • Route2

    References

    • Anbarasan, Pazhamalai; Neumann, Helfried; Beller, Matthias Chemistry - A European Journal, 2011 , vol. 17, # 15 p. 4217 - 4222
  • Route3
    • null|null
      19158-51-1
    • null|null
      135579-87-2
    • ~69%
    • In-stock
      4-Methylisophthalonitrile|CS-0153569
      1943-88-0

    References

    • Klement, Ingo; Lennick, Klaus; Tucker, Charles E.; Knochel, Paul Tetrahedron Letters, 1993 , vol. 34, # 29 p. 4623 - 4626

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   1.73838
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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