3-HYDROXY-5-(TRIFLUOROMETHYL)BENZOICACID
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3-HYDROXY-5-(TRIFLUOROMETHYL)BENZOICACID
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CAS No:
328-69-8
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Formula:
C8H5F3O3
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Chemical Name:
3-HYDROXY-5-(TRIFLUOROMETHYL)BENZOICACID
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Synonyms:
3-hydroxy-5-(trifluoromethyl)benzoic Acid;3-Hydroxy-5-trifluoromethylbenzoic acid;CHEMBL2146907;Benzoic acid, 3-hydroxy-5-(trifluoromethyl)-;3-Hydroxy-5-trifluoromethyl-benzoic acid;3-hydroxy-5-trifluoromethylbenzoicacid;ACMC-1CPRZ;KSC496I2D;SCHEMBL477824;CTK3J6421
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CAS No:
3-HYDROXY-5-(TRIFLUOROMETHYL)BENZOICACID Basic Attributes
206.12
206.019073
DTXSID00382459
2918290000
Safety Information
Xi: Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-HYDROXY-5-(TRIFLUOROMETHYL)BENZOICACID Use and Manufacturing
720 mg (2.43 mmol) of 3-(benzyloxy)-5-(trifluoromethyl)benzoic acid was dissolved in methanol, then 100 mg of 10percent palladium carbon was added thereto and stirred under hydrogen balloon for 9 hours. After completion of the reaction, the reaction solution was filtered by Cellite and distilled off under reduced pressure, then the residue was purified by column chromatography to give 321 mg of the title compound in a yield of 64percent.Mass(EI) 207 (MStep Two: To a suspension of 25-1 (4.36 g, 21.3 mmol) in water at 0° C., concentrated sulfuric acid (10.6 mL, 191 mmol) was added. (1) A mixture of To a solution of 25-2 (2.90 g, 14.1 mmol) in absolute ethanol, concentrated sulfuric acid (0.04 mL, catalytic) was added. The resulting mixture was heated to reflux for 3 days, cooled to room temperature, concentrated to about 10 mL, and diluted with ethyl acetate. The mixture was washed with water and brine, dried over magnesium sulfate, filtered, and concentrated to give ethyl 3-hydroxy-5-(trifluoromethyl)benzoate (25-3, 3.16 g) as an orange solid.
Computed Properties
Molecular Weight:206.12
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:206.01907850
Monoisotopic Mass:206.01907850
Topological Polar Surface Area:57.5
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-HYDROXY-5-(TRIFLUOROMETHYL)BENZOICACID
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