3-Thiophenecarboxylic acid, methyl ester
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3-Thiophenecarboxylic acid, methyl ester
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CAS No:
22913-26-4
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Formula:
C6H6O2S
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Chemical Name:
3-Thiophenecarboxylic acid, methyl ester
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Synonyms:
3-Thiophenecarboxylic acid,methyl ester;Methyl 3-thiophenecarboxylate;3-(Methoxycarbonyl)thiophene
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CAS No:
Safety Information
NA 1993 / PGIII
2
36/37/38-43
26-36/37
Xi
P261-P280-P305 + P351 + P338
H315-H317-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Thiophenecarboxylic acid, methyl ester Use and Manufacturing
To a solution of 3-thiophene carboxylic acid (2.Og, 15.60mmol) in methanol (30ml) was added a catalytic amount of sulphuric acid (0.5ml) and the reaction mixture was heated to reflux for 2 hr. The solvent was removed under reduced pressure and the residue was poured into ice-cold water and extracted with ethyl acetate. The organic layer was washed with water, concentrated and dried to give 3-thiophene carboxylic acid methyl ester (1.8g, 81percent).To a solution of 3-thiophene carboxylic acid methyl ester (1.8g, 12.68mmol) in acetic acid (7.5ml) was added a mixture of nitric acid (0.67ml), acetic acid (7.5ml) and acetic anhydride (4.3ml) at 0-100C. The reaction mixture was stirred at 400C for lhr and then poured into crushed ice. The solid was filtered, washed with cold water and dried. The compound was recrystallised using ether/hexane to give 5-nitro-A mixture of acetic anhydride (15.7 mL, 166 mmol) and fuming nitric acid (1.8 mL, 44 mmol) was cooled to -14 C and a cold solution of
Computed Properties
Molecular Weight:142.18
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:142.00885060
Monoisotopic Mass:142.00885060
Topological Polar Surface Area:54.5
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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