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4-Hydroxyphthalic acid

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4-Hydroxyphthalic acid

EINECS 210-221-6
CAS No. 610-35-5 Density 1.612 g/cm3
PSA 94.83000 LogP 0.78860
Solubility Slightly miscible with water. Melting Point 191-194 °C
Formula C8H6O5 Boiling Point 468.3 °C at 760 mmHg
Molecular Weight 182.133 Flash Point 251.2 °C
Transport Information N/A Appearance off-white to white powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 610-35-5 (4-Hydroxyphthalic acid) Hazard Symbols IrritantXi
Synonyms

Phthalicacid, 4-hydroxy- (6CI,7CI,8CI);4-Hydroxy-1,2-benzenedicarboxylic acid;4-Hydroxyphthalic acid;

Article Data 27

4-Hydroxyphthalic acid Specification

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

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