benzofuran-7-carboxylicacid
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benzofuran-7-carboxylicacid
structure -
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CAS No:
90484-22-3
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Formula:
C9H6O3
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Chemical Name:
benzofuran-7-carboxylicacid
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Synonyms:
7-Benzofurancarboxylic acid;benzofuran-7-carboxylic acid;1-benzofuran-7-carboxylic acid;Benzo[b]furan-7-carboxylic acid, 97%
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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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
benzofuran-7-carboxylicacid Use and Manufacturing
Step 3 7-Benzofuranylcarboxylic acid A mixture of 0.25 g (0.99 mmol) of 7-Carbomethoxybenzofuran and 0.1 mL of K2CO3 (1N in water) in 6 mL of methanol was stirred at it for 24 h. The reaction mixture was filtered and the filtrate was concentrated. The residue was purified by chromatography (silica, hexanes: ethyl acetate, 4:1, then ethyl acetate: methanol, 9:1) to give 0.15 g of the title compound.(1)-(i) A mixture of 420 mg of methyl benzofuran-7-carboxylate, 5 ml of an aqueous 10% sodium hydroxide solution and 5 ml of methanol is stirred at room temperature for 1 hour. The reaction mixture is evaporated to remove solvent. The residue is dissolved in water and the solution is acidified with 10% hydrochloric acid. The resultant crystals are collected by filtration and dried to give 321 mg of
Computed Properties
Molecular Weight:162.14
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:162.031694049
Monoisotopic Mass:162.031694049
Topological Polar Surface Area:50.4
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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