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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)benzonitrile

  • CAS No. 455-18-5

  • Cat. No. CS-W001930
  • Purity≥98%
  • MDL No.MFCD00001826

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

4-(Trifluoromethyl)benzonitrile|CS-W001930

Structure of 455-18-5

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General Information

  • CAS No. 455-18-5
  • Cat. No. CS-W001930
  • Purity ≥98%
  • MDL No. MFCD00001826
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃N
  • Molecular Weight 171.12
  • Synonym(s) α,α,α-Trifluoro-p-tolunitrile
  • SMILES N#Cc1ccc(cc1)C(F)(F)F

Description

4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅱ
Hazard Statements : H228-H302+H312+H332
Precautionary Statements : P210-P240-P241-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.57708
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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