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CS-W001157 4
Total: USD 88.00

1-Isopropoxy-3-nitrobenzene

  • CAS No. 88991-53-1

  • Cat. No. CS-0461066
  • Purity≥98%
  • MDL No.None

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

1-Isopropoxy-3-nitrobenzene|CS-0461066

Structure of 88991-53-1

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General Information

  • CAS No. 88991-53-1
  • Cat. No. CS-0461066
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) 3-Isopropoxynitrobenzene
  • SMILES CC(C)OC1=CC=CC(=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      75-30-9
    • null|null
      554-84-7
    • ~86%
    • 1-Isopropoxy-3-nitrobenzene|CS-0461066
      88991-53-1

    References

    • Yu; Thrasher; McCowan; Mason; Mendelsohn Journal of Medicinal Chemistry, 1991 , vol. 34, # 4 p. 1505 - 1508
  • Route2
    • null|null
      99-65-0
    • Sodium Propan-2-Olate,20% in tetrahydrofuran|CS-0757153
      683-60-3
    • ~27%
    • 1-Isopropoxy-3-nitrobenzene|CS-0461066
      88991-53-1

    References

    • Effenberger, Franz; Koch, Markus; Streicher, Willi Chemische Berichte, 1991 , vol. 124, # 1 p. 163 - 173
  • Route3

    References

    • Bunce, Richard A.; Easton, Kerry M. Organic Preparations and Procedures International, 2004 , vol. 36, # 1 p. 76 - 81

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   2.382
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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