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CAS No.: | 610-35-5 |
---|---|
Name: | 4-Hydroxyphthalic acid |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C8H6O5 |
Molecular Weight: | 182.133 |
Synonyms: | Phthalicacid, 4-hydroxy- (6CI,7CI,8CI);4-Hydroxy-1,2-benzenedicarboxylic acid;4-Hydroxyphthalic acid; |
EINECS: | 210-221-6 |
Density: | 1.612 g/cm3 |
Melting Point: | 191-194 °C |
Boiling Point: | 468.3 °C at 760 mmHg |
Flash Point: | 251.2 °C |
Solubility: | Slightly miscible with water. |
Appearance: | off-white to white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 94.83000 |
LogP: | 0.78860 |
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The 4-Hydroxyphthalic acid is an organic compound with the formula C8H6O5. The IUPAC name of this chemical is 4-hydroxyphthalic acid. With the CAS registry number 610-35-5, it is also named as 1,2-benzenedicarboxylic acid, 4-hydroxy-. The product's categories are Phthalic Acids; Esters and Derivatives. Besides, it is an off-white to white powder, which should be stored in a closed place.
Physical properties about 4-Hydroxyphthalic acid are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): -2.14; (3)ACD/LogD (pH 7.4): -3.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 61.83 Å2; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 41.99 cm3; (14)Molar Volume: 112.9 cm3; (15)Polarizability: 16.64×10-24cm3; (16)Surface Tension: 88.6 dyne/cm; (17)Density: 1.612 g/cm3; (18)Flash Point: 251.2 °C; (19)Enthalpy of Vaporization: 76.96 kJ/mol; (20)Boiling Point: 468.3 °C at 760 mmHg; (21)Vapour Pressure: 1.42E-09 mmHg at 25°C.
Uses of 4-Hydroxyphthalic acid: it can be used to produce 3,5-dichloro-4-hydroxyphthalic acid at ambient temperature. It will need reagent aq. CH3COOH, Cl2. The yield is about 74%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(O)cc1)C(=O)O
(2)InChI: InChI=1/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
(3)InChIKey: MWRVRCAFWBBXTL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
(5)Std. InChIKey: MWRVRCAFWBBXTL-UHFFFAOYSA-N