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CS-W001157 4
Total: USD 88.00

1-Chloro-3-nitro-5-(trifluoromethyl)benzene

  • CAS No. 401-93-4

  • Cat. No. CS-0041940
  • Purity≥97%
  • MDL No.MFCD03412202

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

1-Chloro-3-nitro-5-(trifluoromethyl)benzene|CS-0041940

Structure of 401-93-4

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General Information

  • CAS No. 401-93-4
  • Cat. No. CS-0041940
  • Purity ≥97%
  • MDL No. MFCD03412202
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₃NO₂
  • Molecular Weight 225.55
  • Synonym(s) 3-Chloro-5-nitrobenzotrifluoride
  • SMILES FC(C1=CC([N+]([O-])=O)=CC(Cl)=C1)(F)F

Synthesis

  • Route1

    References

    • Altmann, Karl-Heinz; Bold, Guido; Manley, Paul William Patent: US2002/10181 A1, 2002 ;
  • Route2

    References

    • Whalley Journal of the Chemical Society, 1949 , p. 3016,3019

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.267
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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