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CS-W001157 4
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(2-Methyl-3-nitrophenyl)methanol

  • CAS No. 23876-13-3

  • Cat. No. CS-0097438
  • Purity≥96%
  • MDL No.MFCD00007166

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

(2-Methyl-3-nitrophenyl)methanol|CS-0097438

Structure of 23876-13-3

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General Information

  • CAS No. 23876-13-3
  • Cat. No. CS-0097438
  • Purity ≥96%
  • MDL No. MFCD00007166
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) 2-Methyl-3-nitrobenzyl alcohol
  • SMILES OCC1=CC=CC([N+]([O-])=O)=C1C

Description

2-Methyl-3-nitrobenzyl alcohol was used to prepare 2-methyl-3-nitrobenzyl cyanide. It was also used in the synthesis of 20-membered macrocyclic thiodepsipeptide.

Synthesis

  • Route1

    References

    • Gallagher, Gregory; Lavanchy, Patricia G.; Wilson, James W.; Hieble, J. Paul; DeMarinis, Robert M. Journal of Medicinal Chemistry, 1985 , vol. 28, # 10 p. 1533 - 1536
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    • In-stock
      (2-Methyl-3-nitrophenyl)methanol|CS-0097438
      23876-13-3

    References

    • European Journal of Medicinal Chemistry, , vol. 30, # 12 p. 973 - 982
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    References

    • Helvetica Chimica Acta, , vol. 31, p. 65,74

Safety Information

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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   63.37
  • LogP   1.39552
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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