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CS-W001157 4
Total: USD 88.00

Isophthalonitrile

  • CAS No. 626-17-5

  • Cat. No. CS-W013468
  • Molecule weight128.13
  • Purity≥97%
  • MDL No.MFCD00001795

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

Isophthalonitrile|CS-W013468

Structure of 626-17-5

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General Information

  • CAS No. 626-17-5
  • Cat. No. CS-W013468
  • Purity ≥97%
  • MDL No. MFCD00001795
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂
  • Molecular Weight 128.13
  • Synonym(s) m-Phthalodinitrile; Isophthalonitrile
  • SMILES N#CC1=CC=CC(C#N)=C1

Description

1,3-Dicyanobenzene was used in the synthesis of oxazolines and 1,3-bis-(4,4-dimethyl-2-oxazolinyl)benzene.

Application

Isophthalonitrile serves as a versatile di-functional building block in synthetic organic chemistry, enabling the construction of aromatic heterocycles and conjugated polymers. Its meta-oriented nitrile groups exhibit high stability under standard reaction conditions and participate reliably in nucleophilic substitution, metal-catalyzed coupling, and cyclization processes. The compound facilitates efficient synthesis of pharmaceutical intermediates and functional materials with predictable regiochemistry.

Synthesis

  • Route1
    • null|null
      64847-76-3
    • null|null
      108-24-7
    • ~%
    • In-stock
      Isophthalonitrile|CS-W013468
      626-17-5

    References

    • Chemische Berichte, , vol. 24, p. 2422
  • Route2
    • null|null
      64-17-5
    • Benzene-1,3-bis(carbothioamide)|CS-0709885
      3030-54-4
    • ~%
    • In-stock
      Isophthalonitrile|CS-W013468
      626-17-5

    References

    • Chemische Berichte, , vol. 17, p. 1423
  • Route3
    • null|null
      46133-07-7
    • null|null
      75-36-5
    • ~%
    • In-stock
      Isophthalonitrile|CS-W013468
      626-17-5
    • null|null
      7732-18-5

    References

    • Chemische Berichte, , vol. 20, p. 2005

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   1.42996
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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