3-Bromo-4-(trifluoromethyl)benzoic acid
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3-Bromo-4-(trifluoromethyl)benzoic acid
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CAS No:
581813-17-4
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Formula:
C8H4BrF3O2
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Chemical Name:
3-Bromo-4-(trifluoromethyl)benzoic acid
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Synonyms:
3-Bromo-4-(trifluoromethyl)benzoic acid;Benzoic acid, 3-bromo-4-(trifluoromethyl)-;3-BROMO-4-TRIFLUOROMETHYLBENZOIC ACID;SCHEMBL1811724;CTK8B5392;DTXSID40624946;ACT07344;BCP20942;ANW-48564;CL8072
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CAS No:
Safety Information
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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-4-(trifluoromethyl)benzoic acid Use and Manufacturing
Concentrated sulfuric acid (1 mL) was slowly added to a solution of To a solution of 3-bromo-4- trifluoromethylbenzoic acid (4.1 g, 15.4 mol) dissolved in methanol (30 mL), concentrated sulfuric acid (1 mL) was slowly added at room temperature. The reaction system was heated to 60C and stirred for 6 hrs. After cooling to room temperature, the reaction sytem was extracted with ethyl acetate (25 mL). The organic phase was washed with saturated saline, dried and concentrated. The resulting residue was separated by flash column chromatography (petroleum ether:ethyl acetate=10:1) to obtain Compound j': methyl 3-bromo-4- trifluoromethylbenzoate as a white solid (4.2 g, yield 96%).
Computed Properties
Molecular Weight:269.01
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:267.93468
Monoisotopic Mass:267.93468
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-4-(trifluoromethyl)benzoic acid
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