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CS-W001157 4
Total: USD 88.00

1,2,5-Trimethyl-3-nitrobenzene

  • CAS No. 609-88-1

  • Cat. No. CS-0539341
  • Purity≥98%
  • MDL No.None

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

1,2,5-Trimethyl-3-nitrobenzene|CS-0539341

Structure of 609-88-1

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General Information

  • CAS No. 609-88-1
  • Cat. No. CS-0539341
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) 1,2,5-Trimethyl-3-nitrobenzene
  • SMILES O=[N+](C1=C(C)C(C)=CC(C)=C1)[O-]

Synthesis

  • Route1
    • null|null
      95-63-6
    • ~27%
    • 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

    • Olah, George A.; Fung, Alexander P.; Narang, Subhash C.; Olah, Judith A. Journal of Organic Chemistry, 1981 , vol. 46, # 17 p. 3533 - 3537
  • Route2
    • null|null
      41571-53-3
    • ~%
    • 1,2,5-Trimethyl-3-nitrobenzene|CS-0539341
      609-88-1

    References

    • Marion; Oldfield Canadian Journal of Research, Section B: Chemical Sciences, 1947 , vol. 25, p. 1,12
  • Route3
    • null|null
      95-63-6
    • ~%
    • 1,2,5-Trimethyl-3-nitrobenzene|CS-0539341
      609-88-1

    References

    • Dollinsky et al. Journal of the Association of Official Agricultural Chemists, 1959 , vol. 42, p. 709,716

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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