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CS-W001157 4
Total: USD 88.00

2-Methyl-4-nitrobenzaldehyde

  • CAS No. 72005-84-6

  • Cat. No. CS-0040713
  • Purity≥96%
  • MDL No.MFCD05669728

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

2-Methyl-4-nitrobenzaldehyde|CS-0040713

Structure of 72005-84-6

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General Information

  • CAS No. 72005-84-6
  • Cat. No. CS-0040713
  • Purity ≥96%
  • MDL No. MFCD05669728
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₃
  • Molecular Weight 165.15
  • Synonym(s) None
  • SMILES O=CC1=CC=C([N+]([O-])=O)C=C1C

Synthesis

  • Route1
    • 2-Methyl-4-nitro-1-vinylbenzene|CS-0974295
      91748-01-5
    • ~83%
    • In-stock
      2-Methyl-4-nitrobenzaldehyde|CS-0040713
      72005-84-6

    References

    • Iwanowicz, Edwin J.; Watterson, Scott H.; Guo, Junqing; Pitts, William J.; Murali Dhar; Shen, Zhongqi; Chen, Ping; Gu, Henry H.; Fleener, Catherine A.; Rouleau, Katherine A.; Cheney, Daniel L.; Townsend, Robert M.; Hollenbaugh, Diane L. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 12 p. 2059 - 2063
  • Route2
    • null|null
      75-17-2
    • ~%
    • In-stock
      2-Methyl-4-nitrobenzaldehyde|CS-0040713
      72005-84-6

    References

    • Fukui et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 5954,5956 Anm.27
  • Route3

    References

    • Goh, Swee Hock; Kam, Toh Seok Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 423 - 426

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

Quality Control

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   1.71572
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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