3,5-Bis(trifluoromethyl)phenol
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3,5-Bis(trifluoromethyl)phenol
structure -
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CAS No:
349-58-6
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Formula:
C8H4F6O
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Chemical Name:
3,5-Bis(trifluoromethyl)phenol
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Synonyms:
Phenol,3,5-bis(trifluoromethyl)-;3,5-Xylenol,α,α,α,α′,α′,α′-hexafluoro-;3,5-Bis(trifluoromethyl)phenol;NSC 88299
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CAS No:
3,5-Bis(trifluoromethyl)phenol Basic Attributes
230.11
230.11
2123670
206-488-3
UF8V4P6RSU
88299
DTXSID60188454
29081990
Characteristics
20.2
3.9
Liquid. Biting odor.
1.5±0.1 g/cm3
20.4-21.3 °C
97.2 °C @ Press: 50 Torr
>230 °F
1.407
2-8°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
3,5-Bis(trifluoromethyl)phenol Use and Manufacturing
General procedure: To a test tube containing a magnetic bar was added aryl halide (1.0 mmol), CuClA mixture of 100 g (0.39 mol) of 3, 5-bis(trifluoromethyl)acetophenone obtained above, 155.2 g of (0.74 mol) of trifluoroacetic anhydride and 400 ml of chloroform was stirred at 0°C in a nitrogen atmosphere. 25 mL reaction flaskNitrophenylhydrazine (0.25 mmol)3, 5-bis-trifluoromethyl-phenyl boronic acid (0.5mmol), Cesium fluoride (2.0 mmol)And polyethylene glycol-400 (2.0 g).The mixture was reacted at 80 ° C until the reaction was complete.The reaction mixture was cooled to room temperature, The product was isolated by column chromatography after evaporation of the solvent under reduced pressure. The yield was 87percent.
Computed Properties
Molecular Weight:230.11
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Exact Mass:230.01663372
Monoisotopic Mass:230.01663372
Topological Polar Surface Area:20.2
Heavy Atom Count:15
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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