3-BROMO-5-METHOXYBENZOIC ACID
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3-BROMO-5-METHOXYBENZOIC ACID
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CAS No:
157893-14-6
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Formula:
C8H7BrO3
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Chemical Name:
3-BROMO-5-METHOXYBENZOIC ACID
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Synonyms:
5-BROMO-3-METHOXYBENZOIC ACID;3-BROMO-5-METHOXYBENZOIC ACID;3-Bromo-5-methoxybenzoic acid 99%;3-Bromo-5-carboxyanisole;3-Bromo-5-carboxyanisole, 5-Bromo-m-anisic acid
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CAS No:
Characteristics
46.5
2.9
1.625±0.06 g/cm3(Predicted)
190-191 °C(Solv: ethanol (64-17-5))
338.8±27.0 °C(Predicted)
158.7±23.7 °C
1.584
Room temperature.
3.74E-05mmHg at 25°C
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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-BROMO-5-METHOXYBENZOIC ACID Use and Manufacturing
3-Bromo-5-(methyloxy)benzoic acidTo a solution of 2-amino-5-bromo-3-(methyloxy)benzoic acid (16.40 g, 66.65 mmol) in H3-Bromo-5-methoxybenzoic acid To a solution of 2-amino-5-bromo-3-methoxybenzoic acid (4 g, 16.3 mmol) in water (20 mL) at 0°C, conc. HC1 (7.5 mL, 90 mmol) and THF (20 mL) were added. The mixture was stirred for 30 mm, and then NaNO2 (3.16 g, 45.8 mmol) was added. The resulting mixture was stirred for 2 h and then hypophosphorous acid (5.1 g, 76 mmol, 50percent in H20) was added to the reaction. The mixture was stirred at room temperature for 16 h. The precipitate was collected by filtration, washed with water and dried in vacuo to afford the desired product (3.2 g, 85percent yield). ESI-MS m/z: 229.2 [M3). 1-Bromo-3-methoxy-5-methylbenzene (1.00 g, 5.0mmol) and pyridine/HTo a vigorously stirred mixture of 1-Bromo-3-methoxy-5-methylbenzene (1 g, 4.97 mmol), Pyridine (3.22 ml_, 39.8 mmol) and Water (8 ml) was added in small portions KMnO To a vigorously stirred mixture of 1 -Bromo-3-methoxy-5-methylbenzene (1 g, 4.97 mmol), Pyridine (3.22 mL, 39.8 mmol) and Water (8 ml) was added in small portions KMn03-Bromo-5-methoxybenzoic acid Example 31
Computed Properties
Molecular Weight:231.04
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:229.95786
Monoisotopic Mass:229.95786
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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