1-benzofuran-3-carboxylic acid
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1-benzofuran-3-carboxylic acid
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CAS No:
26537-68-8
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Formula:
C9H6O3
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Chemical Name:
1-benzofuran-3-carboxylic acid
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Synonyms:
1-benzofuran-3-carboxylic acid;3-Benzofurancarboxylic acid;Benzo[b]furan-3-carboxylic acid 97%;1-benzofuran-3-carboxylic acid(SALTDATA: FREE);3-Carboxybenzo[b]furan;3-Carboxybenzo[b]furan, 1-Benzofuran-3-carboxylic acid;Benzo[b]furan-3-carboxylicacid97%
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-benzofuran-3-carboxylic acid Use and Manufacturing
152 g of o-hydroxyphenylacetic acid was added to the reaction flask. 500 g of acetic anhydride and 250 g of trimethyl orthoformate, The temperature was raised to 80-100 ° C for 6 hours. The solvent was evaporated under reduced pressure to give a yellow solid. After adding 500 g of methanol to the solid and stirring and dissolving, the temperature was controlled at 0-10 ° C, 180 g of a 30percent sodium hydroxide solution was added dropwise, and the mixture was heated to 50-60 ° C for 3-6 hours. Methanol was recovered under reduced pressure, and 300 g of drinking water was added to the residue. The temperature of the solution was adjusted to 30 ° C or less, 160 g of 30percent hydrochloric acid was added dropwise to adjust pH 1-2, the temperature was lowered to 0-10 ° C, and the mixture was decanted for 3 hours, filtered, and washed with solid water. Drying in vacuo gave 158 g of a white solid, yield 97.5percent.
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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Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 26537-68-8Grade: Industrial GradeContent: 95%
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