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CS-W001157 4
Total: USD 88.00

6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde

  • CAS No. 712-97-0

  • Cat. No. CS-0045050
  • Purity≥97%
  • MDL No.MFCD00005829

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

6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde|CS-0045050

Structure of 712-97-0

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General Information

  • CAS No. 712-97-0
  • Cat. No. CS-0045050
  • Purity ≥97%
  • MDL No. MFCD00005829
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₅
  • Molecular Weight 195.13
  • Synonym(s) 6-Nitropiperonal
  • SMILES O=CC1=C([N+]([O-])=O)C=C(OCO2)C2=C1

Description

6-Nitropiperonal was used to study the mechanism of aromatic nucleophilic substitution reaction of [18F]Fluoride ion. It was used in the synthesis of 6-[18F]fluoro-L-dopa.

Synthesis

  • Route1
    • null|null
      120-57-0
    • ~10%
    • In-stock
      6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde|CS-0045050
      712-97-0

    References

    • Murphy, Bryan P. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5873 - 5875
  • Route2
    • null|null
      96806-57-4
    • ~49%
    • In-stock
      6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde|CS-0045050
      712-97-0

    References

    • Murphy, Bryan P.; Banks, Harold D. Synthetic Communications, 1985 , vol. 15, # 4 p. 321 - 330
  • Route3

    References

    • Agricultural and Biological Chemistry, , vol. 46, # 12 p. 3105 - 3108

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   78.67
  • LogP   1.136
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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