4-Hydroxyisophthalic acid
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4-Hydroxyisophthalic acid
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CAS No:
636-46-4
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Formula:
C8H6O5
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Chemical Name:
4-Hydroxyisophthalic acid
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Synonyms:
1,3-Benzenedicarboxylic acid,4-hydroxy-;Isophthalic acid,4-hydroxy-;4-Hydroxy-1,3-benzenedicarboxylic acid;4-Hydroxyisophthalic acid;4-Hydroxy-m-phthalic acid;Eupirina;NSC 2445
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CAS No:
Characteristics
94.8
1.5
White solid.
1.6±0.1 g/cm3
310 °C
447.5°C at 760 mmHg
238.6±23.8 °C
1.666
0.3g/L(24 ºC)
Store in a cool, dry place. Keep container closed when not in use.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36/37/39
NT2544000
Xi
Stable under normal temperatures and pressures.
P280-P305 + P351 + P338
H302-H318
|Warning|H315 (95.45%): 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 44 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Hydroxyisophthalic acid Use and Manufacturing
4-Hydroxyisophthalic acid has been proposed as an improvement over aspirin. An impurity of Acetylsalicylic acid (A187780).
Computed Properties
Molecular Weight:182.13
XLogP3:1.5
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:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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