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CS-W001157 4
Total: USD 88.00

2,2'-(1,3-Phenylene)diacetonitrile

  • CAS No. 626-22-2

  • Cat. No. CS-W018008
  • Purity≥98%
  • MDL No.MFCD00001915

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

2,2'-(1,3-Phenylene)diacetonitrile|CS-W018008

Structure of 626-22-2

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General Information

  • CAS No. 626-22-2
  • Cat. No. CS-W018008
  • Purity ≥98%
  • MDL No. MFCD00001915
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂
  • Molecular Weight 156.19
  • Synonym(s) α,α'-Dicyano-m-xylene
  • SMILES N#CCC1=CC=CC(CC#N)=C1

Synthesis

  • Route1
    • null|null
      773837-37-9
    • In-stock
      1,3-Bis(bromomethyl)benzene|CS-W016730
      626-15-3
    • ~%
    • In-stock
      2,2'-(1,3-Phenylene)diacetonitrile|CS-W018008
      626-22-2

    References

    • WO2011/41349 A1, ; Page/Page column 20 ;
  • Route2

    References

    • European Journal of Medicinal Chemistry, , vol. 43, # 12 p. 2768 - 2777
  • Route3

    References

    • Journal of the Chemical Society, , p. 519 Chemische Berichte, , vol. 53, p. 102

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-H315-H319-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   47.58
  • LogP   1.81876
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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