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CS-W001157 4
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2-Bromo-5,5-dimethyl-cyclohexane-1,3-dione

  • CAS No. 1195-91-1

  • Cat. No. CS-0075694
  • Molecule weight219.08
  • Purity≥95%
  • MDL No.None

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

2-Bromo-5,5-dimethyl-cyclohexane-1,3-dione|CS-0075694

Structure of 1195-91-1

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General Information

  • CAS No. 1195-91-1
  • Cat. No. CS-0075694
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BrO₂
  • Molecular Weight 219.08
  • Synonym(s) 2-BROMO-5,5-DIMETHYL-1,3-CYCLOHEXANDIONE
  • SMILES O=C1C(Br)C(CC(C)(C)C1)=O

Synthesis

  • Route1

    References

    • UCB PHARMA S.A. Patent: WO2009/71895 A1, 2009 ; Location in patent: Page/Page column 95-96 ; WO 2009/071895 A1
  • Route2
    • null|null
      21428-65-9
    • ~%
    • In-stock
      2-Bromo-5,5-dimethyl-cyclohexane-1,3-dione|CS-0075694
      1195-91-1

    References

    • Chemische Berichte, , vol. 59, p. 1886
  • Route3
    • In-stock
      Dimedone|CS-W016456
      126-81-8
    • ~%
    • In-stock
      2-Bromo-5,5-dimethyl-cyclohexane-1,3-dione|CS-0075694
      1195-91-1
    • null|null
      21428-65-9

    References

    • Synthetic Communications, , vol. 19, # 13-14 p. 2481 - 2488

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.7081
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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