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CS-W001157 4
Total: USD 88.00

3'-Methylacetophenone Celecoxib Impurity

  • CAS No. 585-74-0

  • Cat. No. CS-0229272
  • Purity≥98%
  • MDL No.MFCD00008742

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

3'-Methylacetophenone Celecoxib  Impurity|CS-0229272

Structure of 585-74-0

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General Information

  • CAS No. 585-74-0
  • Cat. No. CS-0229272
  • Purity ≥98%
  • MDL No. MFCD00008742
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O
  • Molecular Weight 134.18
  • Synonym(s) Ethanone, 1-(3-methylphenyl)- (9CI)
  • SMILES CC(C1=CC=CC(C)=C1)=O

Synthesis

  • Route1
    • null|null
      766-82-5
    • ~99%
    • 3'-Methylacetophenone Celecoxib  Impurity|CS-0229272
      585-74-0

    References

    • Chen, Zheng-Wang; Ye, Dong-Nai; Qian, Yi-Ping; Ye, Min; Liu, Liang-Xian Tetrahedron, 2013 , vol. 69, # 30 p. 6116 - 6120
  • Route2

    References

    • Wang, Qingfu; Du, Wangming; Liu, Tingting; Chai, Huining; Yu, Zhengkun Tetrahedron Letters, 2014 , vol. 55, # 9 p. 1585 - 1588
  • Route3

    References

    • Zhang, Jinli; Han, Zixing; Li, Junmiao; Wu, Yangjie Arkivoc, 2013 , vol. 2013, # 4 p. 251 - 271

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   17.07
  • LogP   2.19762
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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