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Tetrafluorobenzene
[CAS# 28016-01-5]

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Identification
Name Tetrafluorobenzene
Synonyms T11630_Aldrich; 2,3,4,5-Tetrafluorobenzene
Molecular Structure CAS#: 28016-01-5, Tetrafluorobenzene
Molecular Formula C6H2F4
Molecular Weight 150.08
CAS Registry Number 28016-01-5
EINECS 208-997-6
SMILES C1=CC(=C(C(=C1F)F)F)F
InChI 1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey SOZFIIXUNAKEJP-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
1.4 (Expl.)
Melting point -42°C (Expl.)
Boiling point 92.9±35.0°C at 760 mmHg (Cal.)
95°C (Expl.)
Flash point 20°C (Expl.)
14.5±16.1°C (Cal.)
Refractive index 1.408 (Expl.)
Safety Data
Safety Code S7;S26;S33;S37;S43;S60  Details
Risk Code R11;R36/37/38  Details
Hazard Symbol symbol  symbol  X;F  Details
Transport Information UN1993
Safety Description Safety glasses, good ventilation.
DANGER: FLAMMABLE, irritates skin and eyes
References
(1) Claudio A. Morgado, Ian H. Hillier, Neil A. Burton and Joseph J. W. McDouall. A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions, Phys. Chem. Chem. Phys., 2008, 10, 2706.
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List of Reports Available for Tetrafluorobenzene
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