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CS-W001157 4
Total: USD 88.00

Ethyl 4,5-dimethoxy-2-nitrobenzoate

  • CAS No. 100905-33-7

  • Cat. No. CS-0085112
  • Purity≥98%
  • MDL No.MFCD00015474

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

Ethyl 4,5-dimethoxy-2-nitrobenzoate|CS-0085112

Structure of 100905-33-7

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General Information

  • CAS No. 100905-33-7
  • Cat. No. CS-0085112
  • Purity ≥98%
  • MDL No. MFCD00015474
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₆
  • Molecular Weight 255.22
  • Synonym(s) 2-Nitro-4,5-dimethoxy-benzoesaeure-aethylester
  • SMILES COC1=CC(C(OCC)=O)=C([N+]([O-])=O)C=C1OC

Synthesis

  • Route1
    • null|null
      64-17-5
    • null|null
      4998-07-6
    • ~62%
    • Ethyl 4,5-dimethoxy-2-nitrobenzoate|CS-0085112
      100905-33-7

    References

    • Ogita, Haruhisa; Isobe, Yoshiaki; Takaku, Haruo; Sekine, Rena; Goto, Yuso; Misawa, Satoru; Hayashi, Hideya Bioorganic and medicinal chemistry, 2002 , vol. 10, # 6 p. 1865 - 1871
  • Route2

    References

    • Chemische Berichte, , vol. 9, p. 939 Chemische Berichte, , vol. 11, p. 131
  • Route3

    References

    • Chemische Berichte, , vol. 9, p. 939 Chemische Berichte, , vol. 11, p. 131

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.9
  • LogP   1.7887
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   5

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