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CS-W001157 4
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Methyl 4-cyano-2-nitrobenzoate

  • CAS No. 52449-76-0

  • Cat. No. CS-0511319
  • Purity≥98%
  • MDL No.None

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

Methyl 4-cyano-2-nitrobenzoate|CS-0511319

Structure of 52449-76-0

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General Information

  • CAS No. 52449-76-0
  • Cat. No. CS-0511319
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₄
  • Molecular Weight 206.15
  • Synonym(s) Benzoic acid, 4-cyano-2-nitro-, methyl ester
  • SMILES O=C(OC)C1=CC=C(C#N)C=C1[N+]([O-])=O

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H411
Precautionary Statements : P261-P272-P273-P280-P302+P352-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   93.23
  • LogP   1.25308
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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