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CS-W001157 4
Total: USD 88.00

3-Nitrobenzoic acid

  • CAS No. 121-92-6

  • Cat. No. CS-W020596
  • Purity≥98%
  • MDL No.MFCD00007251

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

3-Nitrobenzoic acid|CS-W020596

Structure of 121-92-6

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General Information

  • CAS No. 121-92-6
  • Cat. No. CS-W020596
  • Purity ≥98%
  • MDL No. MFCD00007251
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₄
  • Molecular Weight 167.12
  • Synonym(s) m-Carboxynitrobenzene; m-Nitrobenzenecarboxylic acid; m-Nitrobenzoic acid
  • SMILES O=C(O)C1=CC=CC([N+]([O-])=O)=C1

Synthesis

  • Route1
    • 5,5-Dimethyl-2-(3-nitrophenyl)-1,3,2-dioxaborinane|CS-0468751
      585524-79-4
    • null|null
      124-38-9
    • ~80%
    • In-stock
      3-Nitrobenzoic acid|CS-W020596
      121-92-6

    References

    • Wang, Wenlong; Zhang, Guodong; Lang, Rui; Xia, Chungu; Li, Fuwei Green Chemistry, 2013 , vol. 15, # 3 p. 635 - 640
  • Route2

    References

    • Chandrasekhar, Sosale; Srimannarayana, Malempati Synthetic Communications, 2009 , vol. 39, # 24 p. 4473 - 4478
  • Route3

    References

    • Crivello, J.V. Journal of Organic Chemistry, 1981 , vol. 46, # 15 p. 3056 - 3060

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319-H402
Precautionary Statements : P264-P273-P280-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.293
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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