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CS-W001157 4
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6-Nitrobenzo[d][1,3]dioxole-5-carboxylic acid

  • CAS No. 716-32-5

  • Cat. No. CS-0148781
  • Purity≥98%
  • MDL No.MFCD06203148

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

6-Nitrobenzo[d][1,3]dioxole-5-carboxylic acid|CS-0148781

Structure of 716-32-5

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General Information

  • CAS No. 716-32-5
  • Cat. No. CS-0148781
  • Purity ≥98%
  • MDL No. MFCD06203148
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₆
  • Molecular Weight 211.13
  • Synonym(s) 6-Nitro-1,3-benzodioxole-5-carboxylic acid
  • SMILES O=C(C1=C([N+]([O-])=O)C=C(OCO2)C2=C1)O

Synthesis

  • Route1

    References

    • Barbosa, Maria Leticia De Castro; Lima, Lidia Moreira; Tesch, Roberta; Sant'Anna, Carlos Mauricio R.; Totzke, Frank; Kubbutat, Michael H.G.; Schaechtele, Christoph; Laufer, Stefan A.; Barreiro, Eliezer J. European Journal of Medicinal Chemistry, 2014 , vol. 71, p. 1 - 14
  • Route2

    References

    • Pfizer Inc. Patent: US6335344 B1, 2002 ; Location in patent: Example 5 ;
  • Route3
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      120-57-0
    • ~%
    • In-stock
      6-Nitrobenzo[d][1,3]dioxole-5-carboxylic acid|CS-0148781
      716-32-5

    References

    • Ekeley; Klemme Journal of the American Chemical Society, 1928 , vol. 50, p. 2713

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   98.9
  • LogP   1.0217
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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