3,6-DIHYDROXYPHTHALICACID
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3,6-DIHYDROXYPHTHALICACID
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CAS No:
3786-46-7
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Formula:
C8H6O6
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Chemical Name:
3,6-DIHYDROXYPHTHALICACID
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Synonyms:
RARECHEMALBO0031;3,6-DIHYDROXYPHTHALICACID;3,6-Dihydroxy-1,2-benzenedicarboxylicacid;2,5-Dihydroxy-1,6-benzenedicarboxylicacid
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CAS No:
Safety Information
P264, P280, P305+P351+P338, P33, P313
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
3,6-DIHYDROXYPHTHALICACID Use and Manufacturing
At 70°CThe next batch of (1.05 kg, 26.24mol) sodium hydroxide was added to 3.8 kg of water, After the system was dissolved, 3, 6-dihydroxyphthalonitrile (1.4 kg, 8.74 mol) was added and refluxed for 3 hours.Central reaction HPLC showed <3percent peak area impurity / product <1percent of starting material / product.After the reaction was cooled to below 80 , the temperature control system is not higher than 80 slowly by adding concentrated sulfuric acid to adjust PH value to 2-3, slowly cooled to room temperature overnight. Filter and filter cake washed twice with ethyl acetate. The filter cake weighed 1.59 kg (yield 92percent).By TLC, it was confirmed that the solid was 3, 6-dihydroxyphthalic acid.The aromatic carboxylic acid compound is not particularly limited, and the following can be exemplified:benzoic acid, ...5-hydroxyphthalic acid, 6-hydroxyphthalic acid, 3, 4-dihydroxyphthalic acid, 3, 5-dihydroxyphthalic acid,
Computed Properties
Molecular Weight:198.13
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:198.01643791
Monoisotopic Mass:198.01643791
Topological Polar Surface Area:115
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes