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CS-W001157 4
Total: USD 88.00

2-Methyl-6-nitrobenzaldehyde

  • CAS No. 107096-52-6

  • Cat. No. CS-0076416
  • Purity≥97%
  • MDL No.MFCD10696870

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

2-Methyl-6-nitrobenzaldehyde|CS-0076416

Structure of 107096-52-6

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General Information

  • CAS No. 107096-52-6
  • Cat. No. CS-0076416
  • Purity ≥97%
  • MDL No. MFCD10696870
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₃
  • Molecular Weight None
  • Synonym(s) Benzaldehyde,2-methyl-6-nitro
  • SMILES [O-][N+](C1=C(C=O)C(C)=CC=C1)=O

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2005/66136 A1, 2005 ; Location in patent: Page/Page column 100 ; WO 2005/066136 A1
  • Route2
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      1237067-27-4
    • ~%
    • In-stock
      2-Methyl-6-nitrobenzaldehyde|CS-0076416
      107096-52-6

    References

    • McIntosh, Melissa L.; Johnston, Ryne C.; Pattawong, Ommidala; Ashburn, Bradley O.; Naffziger, Michael R.; Cheong, Paul Ha-Yeon; Carter, Rich G. Journal of Organic Chemistry, 2012 , vol. 77, # 2 p. 1101 - 1112
  • Route3

    References

    • Phillips; Hartman Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 3 p. 897 - 899

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-P330-P362+P364-P405-P501

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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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