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CS-W001157 4
Total: USD 88.00

2-Bromo-1-mesitylethanone

  • CAS No. 4225-92-7

  • Cat. No. CS-W021592
  • Molecule weight241.12
  • Purity≥96%
  • MDL No.MFCD00227709

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

2-Bromo-1-mesitylethanone|CS-W021592

Structure of 4225-92-7

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General Information

  • CAS No. 4225-92-7
  • Cat. No. CS-W021592
  • Purity ≥96%
  • MDL No. MFCD00227709
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃BrO
  • Molecular Weight 241.12
  • Synonym(s) AKOS BBS-00003969
  • SMILES CC1=CC(C)=CC(C)=C1C(CBr)=O

Synthesis

  • Route1

    References

    • Agouron Pharmaceuticals, Inc. Patent: EP1215208 A2, 2002 ; Location in patent: Example C(57) ; EP 1215208 A2
  • Route2
    • In-stock
      2',4',6'-Trimethylacetophenone|CS-0074269
      1667-01-2
    • ~85%
    • In-stock
      2-Bromo-1-mesitylethanone|CS-W021592
      4225-92-7
    • null|null
      408511-50-2

    References

    • Kresge, A. J.; Schepp, N. P. Journal of the Chemical Society, Chemical Communications, 1989 , # 20 p. 1548 - 1549
  • Route3
    • null|null
      108-67-8
    • ~%
    • In-stock
      2-Bromo-1-mesitylethanone|CS-W021592
      4225-92-7

    References

    • Lee, Ying-Shuan E.; Chuang, Shih-Hsien; Huang, Lynn Y. L.; Lai, Chun-Liang; Lin, Yu-Hsiang; Yang, Ju-Ying; Liu, Chia-Wei; Yang, Sheng-Chuan; Lin, Her-Sheng; Chang, Chia-Chi; Lai, Jun-Yu; Jian, Pei-Shiou; Lam, King; Chang, Jia-Ming; Lau, Johnson Y. N.; Huang, Jiann-Jyh Journal of Medicinal Chemistry, 2014 , vol. 57, # 10 p. 4098 - 4110

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.18946
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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