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CS-W001157 4
Total: USD 88.00

3,4-Dimethyl-5-nitrobenzonitrile

  • CAS No. 52911-61-2

  • Cat. No. CS-0580789
  • Molecule weight176.17
  • Purity≥98%
  • MDL No.None

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

3,4-Dimethyl-5-nitrobenzonitrile|CS-0580789

Structure of 52911-61-2

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General Information

  • CAS No. 52911-61-2
  • Cat. No. CS-0580789
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) None
  • SMILES CC1=CC(=CC(=C1C)[N+](=O)[O-])C#N

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

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.08332
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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