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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68235199Generated: October 23, 2026

3-[4-(Trifluoromethoxy)phenyl]benzonitrile

3-[4-(TrifluoroMethoxy)phenyl]benzonitrile · 4'-(Trifluoromethoxy)[1,1'-biphenyl]-3-carbonitrile · [1,1'-Biphenyl]-3-carbonitrile, 4'-(trifluoromethoxy)-

https://huagongshe.com/en/chemical/68235199

3-[4-(Trifluoromethoxy)phenyl]benzonitrile molecular structure

Identifiers & Physical Properties

CAS No.1334721-50-4
Molecular formulaC14H8F3NO
Average molar mass263.21 g/mol
Monoisotopic mass263.05579854 g/mol
SMILESN#Cc1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIKeyMNCADGADQJACCW-UHFFFAOYSA-N
PubChem CID68235199
DTXSIDDTXSID10738165

Chemical & Physical Properties

XLogP4.4
Topological polar surface area33
Hydrogen bond donors0
Hydrogen bond acceptors5
Rotatable bonds2
Heavy atoms19
Formal charge0
Complexity338
Boiling point325.8±42.0 °C(Predicted)
Density1.32±0.1 g/cm3(Predicted)