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CS-W001157 4
Total: USD 88.00

4,5-Dimethyl-2-nitrophenol

  • CAS No. 18087-10-0

  • Cat. No. CS-0313668
  • Purity95+%
  • MDL No.None

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

4,5-Dimethyl-2-nitrophenol|CS-0313668

Structure of 18087-10-0

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General Information

  • CAS No. 18087-10-0
  • Cat. No. CS-0313668
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) 4,5-Dimethyl-2-hydroxynitrobenzene, 4-Hydroxy-5-nitro-o-xylene
  • SMILES CC1=CC(=C(C=C1C)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      95-65-8
    • ~77%
    • 4,5-Dimethyl-2-nitrophenol|CS-0313668
      18087-10-0

    References

    • Samjin Pharmaceutical Co., Ltd. Patent: US6028195 A1, 2000 ;
  • Route2
    • null|null
      95-65-8
    • ~32%
    • 4,5-Dimethyl-2-nitrophenol|CS-0313668
      18087-10-0
    • 3,4-Dimethyl-2,6-dinitrophenol|CS-0118650
      4097-61-4

    References

    • Naganawa, Atsushi; Matsui, Toshiaki; Ima, Masaki; Yoshida, Koji; Tsuruta, Hiroshi; Yamamoto, Shingo; Yamamoto, Hiroshi; Okada, Hiroki; Maruyama, Takayuki; Nakai, Hisao; Kondo, Kigen; Toda, Masaaki Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 23 p. 7774 - 7789
  • Route3
    • null|null
      95-65-8
    • ~32%
    • 4,5-Dimethyl-2-nitrophenol|CS-0313668
      18087-10-0
    • null|null
      32590-94-6
    • null|null
      3114-62-3

    References

    • Fischer, Alfred; Mathivanan, N. Tetrahedron Letters, 1988 , vol. 29, # 16 p. 1869 - 1872

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.91724
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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