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CS-W001157 4
Total: USD 88.00

1,4-Diacetylbenzene

  • CAS No. 1009-61-6

  • Cat. No. CS-0155100
  • Purity≥96%
  • MDL No.MFCD00008750

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

1,4-Diacetylbenzene|CS-0155100

Structure of 1009-61-6

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General Information

  • CAS No. 1009-61-6
  • Cat. No. CS-0155100
  • Purity ≥96%
  • MDL No. MFCD00008750
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) p-Diacetylbenzene; 1,4-Diacetylbenzene
  • SMILES CC(=O)C1=CC=C(C=C1)C(=O)C

Description

Iminodiacetonitrile is used as a chemical intermediate. It is also used in the preparation of iminodiacetic acid. Further, it is used to study the interference of nitriles in cyanide determination.

Application

1,4-Diacetylbenzene serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized aromatic scaffolds through electrophilic substitution and transition-metal-catalyzed coupling reactions. Its two acetyl groups provide orthogonal reactivity for selective transformations, while the molecule exhibits excellent bench stability and ease of purification. Functions as a key intermediate in the synthesis of heterocyclic systems and advanced materials.

Synthesis

  • Route1

    References

    • Noureldin, Nazih A.; Zhao, Dongyuan; Lee, Donald G. Journal of Organic Chemistry, 1997 , vol. 62, # 25 p. 8767 - 8772
  • Route2
    • null|null
      111-34-2
    • In-stock
      4’-Bromoacetophenone|CS-W020546
      99-90-1
    • ~92%
    • In-stock
      1,4-Diacetylbenzene|CS-0155100
      1009-61-6

    References

    • Xu, Lijin; Chen, Weiping; Ross, James; Xiao, Jianliang Organic Letters, 2001 , vol. 3, # 2 p. 295 - 297
  • Route3
    • null|null
      201230-82-2
    • In-stock
      4’-Bromoacetophenone|CS-W020546
      99-90-1
    • ~95%
    • In-stock
      1,4-Diacetylbenzene|CS-0155100
      1009-61-6

    References

    • Pena, Miguel A.; Perez Sestelo, Jose; Sarandeses, Luis A. Synthesis, 2003 , # 5 p. 780 - 784

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.0918
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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