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CS-W001157 4
Total: USD 88.00

2-Hydroxy-N,N-dimethyl-3-nitrobenzamide

  • CAS No. 66952-65-6

  • Cat. No. CS-M1414
  • Molecule weight210.19
  • Purity≥95%
  • MDL No.None

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

2-Hydroxy-N,N-dimethyl-3-nitrobenzamide|CS-M1414

Structure of 66952-65-6

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General Information

  • CAS No. 66952-65-6
  • Cat. No. CS-M1414
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₄
  • Molecular Weight 210.19
  • Synonym(s) Benzamide,2-hydroxy-N,N-dimethyl-3-nitro
  • SMILES OC1=C(C=CC=C1C(N(C)C)=O)[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      124-40-3
    • ~39%
    • 2-Hydroxy-N,N-dimethyl-3-nitrobenzamide|CS-M1414
      66952-65-6

    References

    • Schering Corporation and Pharmacopeia, Inc. Patent: US2004/147559 A1, 2004 ; Location in patent: Page 86 ; US 20040147559 A1
  • Route2

    References

    • SCHERING CORPORATION; PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2005/68460 A1, 2005 ; Location in patent: Page/Page column 152 ; WO 2005/068460 A1
  • Route3

    References

    • MERCK SHARP andamp;; DOHME CORP.; CHEN, Shu-Hui; WU, Hao; DONG, Jingchao; LIU, Shilan; NIU, Yinhui Patent: WO2010/91543 A1, 2010 ; Location in patent: Page/Page column 23 ; WO 2010/091543 A1

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.68
  • LogP   1.0022
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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