3-acetyl-4-hydroxybenzoic acid
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3-acetyl-4-hydroxybenzoic acid
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CAS No:
16357-40-7
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Formula:
C9H8O4
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Chemical Name:
3-acetyl-4-hydroxybenzoic acid
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Synonyms:
3-acetyl-4-hydroxybenzoic acid;2'-Hydroxyacetophenone-5'-carboxylic acid;4-Hydroxy-3-acetylbenzoicacid;5'-Carboxy-2'-hydroxyacetophenone;5-Carboxy-2-hydroxyacetophenone
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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.
3-acetyl-4-hydroxybenzoic acid Use and Manufacturing
4-Acetoxy-benzoic acid (0.350 g, 1.95 mmol) and anhydrous AlCl3-Acetyl-4-hvdroxy-benzoic acid: Mg(CIO4.3 3-Acetyl-4-hydroxy-benzoic acid; Mg(CIOMethyl 4-acetylbenzoate (1002-95) (14 g, 66 mmol, 1.0 equiv)After grinding into powder, aluminum trichloride (26.3 g, 198 mmol, 3.0 equivalents) was added.Stir at 140°C for 5 hoursAfter the reaction was completed, a dark brown coagulated solid was cooled to room temperature.Crushed with a spoon and added to 300 ml of an aqueous solution. The mixture was heated to reflux for 3 hours. The reaction solution was made into a clear solution, cooled to room temperature, and concentrated hydrochloric acid was added dropwise to pH 1. A large amount of white solid was precipitated and filtered.Drying gave white solid 3-acetyl-4-hydroxybenzoic acid (11.5 g, 96.8percent overall yield over two steps).
Computed Properties
Molecular Weight:180.16
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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