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CS-W001157 4
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Benzyl 2-cyano-2-(2-nitro-5-(trifluoromethyl)phenyl)acetate

  • CAS No. 605668-92-6

  • Cat. No. CS-0361207
  • Purity≥95%
  • MDL No.None

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

Benzyl 2-cyano-2-(2-nitro-5-(trifluoromethyl)phenyl)acetate|CS-0361207

Structure of 605668-92-6

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General Information

  • CAS No. 605668-92-6
  • Cat. No. CS-0361207
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₁F₃N₂O₄
  • Molecular Weight 364.28
  • Synonym(s) Benzyl Alpha-Cyano-2-Nitro-5-(Trifluoromethyl)Phenylacetate
  • SMILES C1=CC=C(C=C1)COC(=O)C(C#N)C2=C(C=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-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   93.23
  • LogP   3.96418
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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