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CS-W001157 4
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Dimethyl 2-nitroisophthalate

  • CAS No. 57052-99-0

  • Cat. No. CS-0150895
  • Purity≥98%
  • MDL No.MFCD18651700

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

Dimethyl 2-nitroisophthalate|CS-0150895

Structure of 57052-99-0

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General Information

  • CAS No. 57052-99-0
  • Cat. No. CS-0150895
  • Purity ≥98%
  • MDL No. MFCD18651700
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₆
  • Molecular Weight 239.18
  • Synonym(s) 2-Nitro-1,3-benzenedicarboxylic acid 1,3-dimethyl ester
  • SMILES COC(=O)C1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Meiries, Sebastien; Le Duc, Gaetan; Chartoire, Anthony; Collado, Alba; Speck, Klaus; Arachchige, Kasun S. Athukorala; Slawin, Alexandra M. Z.; Nolan, Steven P. Chemistry - A European Journal, 2013 , vol. 19, # 51 p. 17358 - 17368
  • Route2
    • null|null
      81-20-9
    • ~%
    • In-stock
      Dimethyl 2-nitroisophthalate|CS-0150895
      57052-99-0

    References

    • Chemistry - A European Journal, , vol. 19, # 51 p. 17358 - 17368
  • Route3
    • null|null
      67-56-1
    • In-stock
      2-Nitro-1,3-benzenedicarboxylic acid|CS-D1110
      21161-11-5
    • ~%
    • In-stock
      Dimethyl 2-nitroisophthalate|CS-0150895
      57052-99-0

    References

    • Chemische Berichte, , vol. 43, p. 3474

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   95.74
  • LogP   1.168
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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