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CS-W001157 4
Total: USD 88.00

1,3-Dimethyl-5-nitroadamantane

  • CAS No. 6588-68-7

  • Cat. No. CS-0106366
  • Purity≥97%
  • MDL No.None

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

1,3-Dimethyl-5-nitroadamantane|CS-0106366

Structure of 6588-68-7

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General Information

  • CAS No. 6588-68-7
  • Cat. No. CS-0106366
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₂
  • Molecular Weight 209.28
  • Synonym(s) 3,5-Dimethyl-1-nitroadamantane
  • SMILES C[C@]1(C2)C[C@]3(C)C[C@@H](C[C@@]2([N+]([O-])=O)C3)C1

Synthesis

  • Route1

    References

    • Sakaguchi, Satoshi; Nishiwaki, Yoshiki; Kitamura, Takaaki; Ishii, Yasutaka Angewandte Chemie, International Edition, 2001 , vol. 40, # 1 p. 222 - 224 Angewandte Chemie, 2001 , vol. 113, p. 228 - 230
  • Route2

    References

    • Shinachi, Satoshi; Yahiro, Hidenori; Yamaguchi, Kazuya; Mizuno, Noritaka Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6489 - 6496
  • Route3

    References

    • Daicel Chemical Industries, Ltd. Patent: EP1099684 A1, 2001 ;

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

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.0121
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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