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CS-W001157 4
Total: USD 88.00

(3-Methyl-4-nitrophenyl)methanol

  • CAS No. 80866-75-7

  • Cat. No. CS-0039172
  • Purity≥95%
  • MDL No.MFCD00007171

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

(3-Methyl-4-nitrophenyl)methanol|CS-0039172

Structure of 80866-75-7

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General Information

  • CAS No. 80866-75-7
  • Cat. No. CS-0039172
  • Purity ≥95%
  • MDL No. MFCD00007171
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) 3-Methyl-4-nitrobenzyl alcohol
  • SMILES OCC1=CC=C([N+]([O-])=O)C(C)=C1

Synthesis

  • Route1

    References

    • Dhanoa, Daljit S.; Bagley, Scott W.; Chang, Raymond S. L.; Lotti, Victor J.; Chen, Tsing-Bau; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 26 p. 4239 - 4249
  • Route2

    References

    • Journal of the Chemical Society [Section] B: Physical Organic, , p. 1154 - 1158
  • Route3
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    • In-stock
      (3-Methyl-4-nitrophenyl)methanol|CS-0039172
      80866-75-7

    References

    • Journal of the Chemical Society [Section] B: Physical Organic, , p. 1154 - 1158

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-P305+P351+P338-P330-P362+P364-P403+P233-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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