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CS-W001157 4
Total: USD 88.00

4-Isopropoxy-3-nitrobenzoic acid

  • CAS No. 156629-52-6

  • Cat. No. CS-0208065
  • Purity≥98%
  • MDL No.MFCD09810083

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

4-Isopropoxy-3-nitrobenzoic acid|CS-0208065

Structure of 156629-52-6

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General Information

  • CAS No. 156629-52-6
  • Cat. No. CS-0208065
  • Purity ≥98%
  • MDL No. MFCD09810083
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₅
  • Molecular Weight 225.20
  • Synonym(s) 3-Nitro-4-propan-2-yloxybenzoic acid
  • SMILES O=C(O)C1=CC=C(OC(C)C)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • TAKEDA CHEMICAL INDUSTRIES, LTD. Patent: WO2004/46107 A1, 2004 ; Location in patent: Page 186 ; WO 2004/046107 A1
  • Route2

    References

    • Thompson, Sam; Hamilton, Andrew D. Organic and Biomolecular Chemistry, 2012 , vol. 10, # 30 p. 5780 - 5782

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   2.0802
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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