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CS-W001157 4
Total: USD 88.00

3,5-Dimethyl-2-nitrobenzoic acid

  • CAS No. 52095-18-8

  • Cat. No. CS-0149018
  • Purity≥98%
  • MDL No.MFCD12828399

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

3,5-Dimethyl-2-nitrobenzoic acid|CS-0149018

Structure of 52095-18-8

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General Information

  • CAS No. 52095-18-8
  • Cat. No. CS-0149018
  • Purity ≥98%
  • MDL No. MFCD12828399
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C)=CC(C)=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Moorthy, Jarugu Narasimha; Senapati, Kalyan; Parida, Keshaba Nanda; Jhulki, Samik; Sooraj, Kunnikuruvan; Nair, Nisanth N. Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9593 - 9601
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    References

    • Wu, Chengde; Decker, E. Radford; Blok, Natalie; Bui, Huong; You, Tony J.; Wang, Junmei; Bourgoyne, Andree R.; Knowles, Vippra; Berens, Kurt L.; Holland, George W.; Brock, Tommy A.; Dixon, Richard A. F. Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 1969 - 1986
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    References

    • Schmitz Justus Liebigs Annalen der Chemie, 1878 , vol. 193, p. 162,166 Full Text Show Details Bamberger; Demuth Chemische Berichte, 1901 , vol. 34, p. 29

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-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.90984
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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