1,3-Bis(trifluoromethyl)benzene

1,3-Bis(trifluoromethyl)benzene is an organofluorine compound with the formula C₆H₄(CF₃)₂. It is the most intensively studied of three isomers of the same formula. Like benzotrifluoride, bis(trifluoromethyl)benzene is prepared by the reaction of hydrogen fluoride with the corresponding trichloromethylbenzene compound:^[1]

C₆H₄(CCl₃)₂ + 6 HF → C₆H₄(CF₃)₂ + 6 HCl

Quick facts Names, Identifiers ...

1,3-Bis(trifluoromethyl)benzene

Names
Preferred IUPAC name 1,3-Bis(trifluoromethyl)benzene
Other names α,α,α,α′,α′,α′-hexafluoro-m-xylene
Identifiers
CAS Number	402-31-3
3D model (JSmol)	Interactive image
ECHA InfoCard	100.006.310
EC Number	206-939-4
PubChem CID	223106
UNII	F7TWF66P6X
CompTox Dashboard (EPA)	DTXSID1059949
InChI InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H Key: SJBBXFLOLUTGCW-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Properties
Chemical formula	C8H4F6
Molar mass	214.110 g·mol−1
Appearance	colorless liquid
Boiling point	114–116 Â°C (237–241 Â°F; 387–389 K)
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H315, H319, H335, H411
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 Â°C [77 Â°F], 100 kPa). Infobox references

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1,3-Bis(trifluoromethyl)benzene undergoes bromination to give bromo-3,5-bis(trifluoromethyl)benzene (BrC₆H₃(CF₃)₂), which is used to prepare other reagents,^[2] such as the sodium salt of tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, NaBAr^F₄.^[3]