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CS-W001157 4
Total: USD 88.00

3,6-Dimethoxy-2-nitrobenzoic acid

  • CAS No. 50472-09-8

  • Cat. No. CS-0262499
  • Purity≥98%
  • MDL No.None

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

3,6-Dimethoxy-2-nitrobenzoic acid|CS-0262499

Structure of 50472-09-8

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General Information

  • CAS No. 50472-09-8
  • Cat. No. CS-0262499
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₆
  • Molecular Weight 227.17
  • Synonym(s) 3,6-DIMETHOXY-2-NITRO-BENZOIC ACID
  • SMILES COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C(=O)O

Synthesis

  • Route1

    References

    • Azadi-Ardakani, Manouchehr; Wallace, Timothy W. Tetrahedron, 1988 , vol. 44, # 18 p. 5939 - 5952
  • Route2

    References

    • Tapia, Ricardo A.; Centella, Cesar R.; Valderrama, Jaime A. Synthetic Communications, 1999 , vol. 29, # 12 p. 2163 - 2168
  • Route3

    References

    • Clive; Sannigrahi; Hisaindee The Journal of organic chemistry, 2001 , vol. 66, # 3 p. 954 - 961

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   98.9
  • LogP   1.3102
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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