3-Bromo-5-(trifluoromethyl)benzoicacid
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3-Bromo-5-(trifluoromethyl)benzoicacid
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CAS No:
328-67-6
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Formula:
C8H4BrF3O2
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Chemical Name:
3-Bromo-5-(trifluoromethyl)benzoicacid
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Synonyms:
Bromotrifluoromethylbenzoicacid;
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CAS No:
Safety Information
R36/37/38
26-36
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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-5-(trifluoromethyl)benzoicacid Use and Manufacturing
a) Compound 1.2; 36 N HStep B: A mixture of 400 mg (1.48 mmol) General procedure: To a 50 mL three-necked round-bottomed flask equippedwith a magnetic stirrer, the key intermediate 3 (0.02 mol), aromatic acid (0.02 mol), and dimethylaminopyridine (0.0002 mol) dissolved in dichloromethane (10 mL), and1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride(0.03 mol) were added. The reactions were reacted for 8-10 h at room temperature. Then, the solvent wasremoved under vacuum and recrystallized from ethanol to give the pure target compounds 4a-4aa with the yields of 78.0-91.0%.
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-5-(trifluoromethyl)benzoicacid
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