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CS-W001157 4
Total: USD 88.00

1,2,4-Trimethyl-5-nitrobenzene

  • CAS No. 610-91-3

  • Cat. No. CS-0197320
  • Purity≥98%
  • MDL No.None

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

1,2,4-Trimethyl-5-nitrobenzene|CS-0197320

Structure of 610-91-3

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General Information

  • CAS No. 610-91-3
  • Cat. No. CS-0197320
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) 5-NITROPSEUDOCUMENE
  • SMILES CC1=CC(=C(C=C1C)[N+](=O)[O-])C

Synthesis

  • Route1
    • null|null
      95-63-6
    • ~37%
    • In-stock
      1,2,4-Trimethyl-5-nitrobenzene|CS-0197320
      610-91-3

    References

    • Kaliakoudas, Dimitrios; Eugster, Conrad Hans; Rueedi, Peter Helvetica Chimica Acta, 1990 , vol. 73, # 1 p. 48 - 62
  • Route2
    • null|null
      95-63-6
    • ~65%
    • In-stock
      1,2,4-Trimethyl-5-nitrobenzene|CS-0197320
      610-91-3
    • null|null
      52414-96-7
    • 1,2,5-Trimethyl-3-nitrobenzene|CS-0539341
      609-88-1

    References

    • Journal of Organic Chemistry, , vol. 46, # 17 p. 3533 - 3537
  • Route3

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 34, p. 21

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.52006
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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