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CS-W001157 4
Total: USD 88.00

(4-nitro-1,2-phenylene)dimethanol

  • CAS No. 22162-19-2

  • Cat. No. CS-0005743
  • Purity≥98%
  • MDL No.MFCD12196504

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

(4-nitro-1,2-phenylene)dimethanol|CS-0005743

Structure of 22162-19-2

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General Information

  • CAS No. 22162-19-2
  • Cat. No. CS-0005743
  • Purity ≥98%
  • MDL No. MFCD12196504
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄
  • Molecular Weight 183.16
  • Synonym(s) 4-nitrobenzene-1,2-dimethanol
  • SMILES OCC1=CC=C(C=C1CO)[N+]([O-])=O

Synthesis

  • Route1
    • 4-Nitrophthalic acid Apremilast Impurity|CS-0173715
      610-27-5
    • ~94%
    • (4-nitro-1,2-phenylene)dimethanol|CS-0005743
      22162-19-2

    References

    • Stump, Craig A.; Bell, Ian M.; Bednar, Rodney A.; Bruno, Joseph G.; Fay, John F.; Gallicchio, Steven N.; Johnston, Victor K.; Moore, Eric L.; Mosser, Scott D.; Quigley, Amy G.; Salvatore, Christopher A.; Theberge, Cory R.; Blair Zartman; Zhang, Xu-Fang; Kane, Stefanie A.; Graham, Samuel L.; Vacca, Joseph P.; Williams, Theresa M. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 1 p. 214 - 217
  • Route2

    References

    • Sugimoto; Sakamoto; Fujino; Takashima; Ishikawa Chemical and Pharmaceutical Bulletin, 1985 , vol. 33, # 7 p. 2809 - 2820
  • Route3

    References

    • Kleinschmidt; Braeuniger Die Pharmazie, 1969 , vol. 24, # 1 p. 29 - 32

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.6
  • LogP   0.5794
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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