1,3-Isobenzofurandione,5-hydroxy- supplier

Name
4-HYDROXYPHTHALIC ANHYDRIDE
EINECS
CAS No. 27550-59-0
Article Data22
CAS DataBase
Density 1.625 g/cm³
Solubility
Melting Point 171-173 °C(Solv: acetic acid (64-19-7))
Formula C₈H₄O₄
Boiling Point 407.8 °C at 760 mmHg
Molecular Weight 164.117
Flash Point 179.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-HYDROXYPHTHALIC ANHYDRIDE;5-hydroxyisobenzofuran-1,3-dione
PSA 63.60000
LogP 0.70280

1,3-Isobenzofurandione,5-hydroxy- Specification

The CAS registry number of 1,3-Isobenzofurandione,5-hydroxy- is 27550-59-0. This chemical's molecular formula is C₈H₄O₄ and molecular weight is 164.115. What's more, its systematic name is 5-Hydroxy-2-benzofuran-1,3-dione.

Physical properties about 1,3-Isobenzofurandione,5-hydroxy- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 2.44; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 64.18; (8)ACD/KOC (pH 7.4): 8.25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 37.56 cm³; (15)Molar Volume: 100.9 cm³; (16)Polarizability: 14.89×10^-24 cm³; (17)Surface Tension: 76.1 dyne/cm; (18)Density: 1.625 g/cm³; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 68.54 kJ/mol; (21)Boiling Point: 407.8 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)c2cc(O)ccc12
(2) InChI: InChI=1/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9H
(3) InChIKey: PXHIYFMTRHEUHZ-UHFFFAOYAC

Product Name

4-HYDROXYPHTHALIC ANHYDRIDE

1,3-Isobenzofurandione,5-hydroxy- Specification

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