5-Hydroxyisophthalic acid
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5-Hydroxyisophthalic acid
structure -
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CAS No:
618-83-7
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Formula:
C8H6O5
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Chemical Name:
5-Hydroxyisophthalic acid
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Synonyms:
1,3-Benzenedicarboxylic acid,5-hydroxy-;Isophthalic acid,5-hydroxy-;5-Hydroxy-1,3-benzenedicarboxylic acid;5-Hydroxyisophthalic acid;3,5-Dicarboxyphenol;NSC 302088
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CAS No:
5-Hydroxyisophthalic acid Basic Attributes
182.131
182.13
210-565-7
95UD7B188K
302088
DTXSID1060687
2918290000
Characteristics
94.8
0.7
Slight grayish white powder
1.6±0.1 g/cm3
293 °C
516.9°C at 760 mmHg
280.5±25.2 °C
1.666
0.6g/L(15 ºC)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
2
R36/37/38
S26-S37/39-S24/25
CZ4280000
Xi:Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.96%): 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|Aggregated GHS information provided by 51 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Hydroxyisophthalic acid Use and Manufacturing
To dimethyl 5-hydroxyisophthalate (4 0 g, 19 03 mmol, 1 00 equiv) in THF (10 mL) was added lithium hydroxide (20 mL, 2M in water) and the resulting solution was stirred overnight at 4OArranged with the magnetic to the 250 ml round-bottom flask, add 5 - between bromine benzene phthalic acid (20 g, 80 mmol), water (64 ml) and sodium hydroxide (16 g, 400 mmol). Further to this mixed solution of a catalytic amount of cuprous oxide (0.5 g). Then raising the temperature to 130 °C, reflux about 20 h. TLC tracking reaction, after the reaction is complete. The reaction solution was transferred to a dropping funnel, slowly drop added to the citrate 15percent HCl (82 ml) of 250 ml round bottom flask, adding while stirring, white solid precipitated. Mixed solution to rise to 60 - 70 °C, stirring 1 h. Cooling to room temperature, filtered, the filter cake is water (200 ml) washing 3 times. After drying, to obtain white solid 12.8 g, yield 86percent. The product can be directly used for the next step reaction.
1,3-Benzenedicarboxylic acid, 5-hydroxy-: ACTIVE
Computed Properties
Molecular Weight:182.13
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:182.02152329
Monoisotopic Mass:182.02152329
Topological Polar Surface Area:94.8
Heavy Atom Count:13
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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