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CS-W001157 4
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(2-Methyl-6-nitrophenyl)methanol

  • CAS No. 54915-41-2

  • Cat. No. CS-0465819
  • Purity≥98%
  • MDL No.MFCD12031847

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

(2-Methyl-6-nitrophenyl)methanol|CS-0465819

Structure of 54915-41-2

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General Information

  • CAS No. 54915-41-2
  • Cat. No. CS-0465819
  • Purity ≥98%
  • MDL No. MFCD12031847
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) Benzenemethanol,2-methyl-6-nitro
  • SMILES CC1=C(CO)C(=CC=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • McAllister, Laura A.; Bechle, Bruce M.; Dounay, Amy B.; Evrard, Edelweiss; Gan, Xinmin; Ghosh, Somraj; Kim, Ji-Young; Parikh, Vinod D.; Tuttle, Jamison B.; Verhoest, Patrick R. Journal of Organic Chemistry, 2011 , vol. 76, # 9 p. 3484 - 3497
  • Route2

    References

    • ELI LILLY AND COMPANY Patent: WO2005/66136 A1, 2005 ; Location in patent: Page/Page column 99-100 ; WO 2005/066136 A1
  • Route3
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    • ~%
    • In-stock
      (2-Methyl-6-nitrophenyl)methanol|CS-0465819
      54915-41-2

    References

    • Phillips; Hartman Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 3 p. 897 - 899

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

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