4-(Trifluoromethoxy)benzoic acid
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4-(Trifluoromethoxy)benzoic acid
structure -
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CAS No:
330-12-1
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Formula:
C8H5F3O3
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Chemical Name:
4-(Trifluoromethoxy)benzoic acid
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Synonyms:
Benzoic acid,4-(trifluoromethoxy)-;p-Anisic acid,α,α,α-trifluoro-;4-(Trifluoromethoxy)benzoic acid;p-(Trifluoromethoxy)benzoic acid
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CAS No:
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36-S37/39
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
4-(Trifluoromethoxy)benzoic acid Use and Manufacturing
In a 10 mL round bottom flask, 0.96 g of 4-trifluoromethoxybenzyl alcohol and 2 g of diethylene glycol dimethyl ether were sequentially added.The resulting mixture was subjected to ultrasonic irradiation at 40 kHz/30 W/70 ° C for 35 minutes in an ultrasonic reaction apparatus. The diethylene glycol dimethyl ether was removed under reduced pressure and recrystallized to give 0.91 g of 4-trifluoromethoxybenzoic acid, yield 96percent.4-(Trifluoromethoxy)benzoic acid: To a solution of 4-(trifluoromethoxy)benzonitrile (4 g, 21.4 mmol) in acetic acid (12 mL) was added water (12 mL) and conc. H
4-(Trifluoromethoxy)benzoic Acid is a substituted benzoic acid used in the preparation of a various biologically active compounds such as antifungal and antimalarial agents.
Computed Properties
Molecular Weight:206.12
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:206.01907850
Monoisotopic Mass:206.01907850
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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