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| CAS No.: | 20116-64-7 |
|---|---|
| Name: | 1,4-PHTHALAZINEDIONE |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C8H4N2O2 |
| Molecular Weight: | 160.132 |
| Synonyms: | 1,4-Phthalazinedione;NSC138479; |
| Density: | 1.47 g/cm3 |
| Melting Point: | 341-344 °C |
| Boiling Point: | 318.1 °C at 760 mmHg |
| Flash Point: | 130.1 °C |
| PSA: | 58.86000 |
| LogP: | 0.30400 |
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- Total:20 Page 1 of 1 1
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Specification
The Phthalazine-1,4-dione, with CAS registry number of 20116-64-7, is also known as 1,4-Phthalazinedione. Its IUPAC name is the same with the product name. The molecular formula of Phthalazine-1,4-dione is C8H4N2O2, and its molecular weight is 160.1296.
Physical properties about this chemical are: (1) ACD/LogP: 0.49; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.49; (4) ACD/LogD (pH 7.4): 0.49; (5) ACD/BCF (pH 5.5): 1.38; (6) ACD/BCF (pH 7.4): 1.38; (7) ACD/KOC (pH 5.5): 43.9; (8) ACD/KOC (pH 7.4): 43.9; (9) # H bond acceptors: 4; (10) # H bond donors: 0; (11) # Freely Rotating Bonds: 0; (12) Polar Surface Area: 58.86 Å2; (13) Index of Refraction: 1.706; (14) Molar Refractivity: 42.12 cm3; (15) Molar Volume: 108.2 cm3; (16) Polarizability: 16.69×10-24 cm3; (17) Surface Tension: 62.6 dyne/cm; (18) Density: 1.47 g/cm3; (19) Flash Point: 130.1 °C; (20) Enthalpy of Vaporization: 55.96 kJ/mol; (21) Boiling Point: 318.1 °C at 760 mmHg; (22) Vapour Pressure: 0.000369 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\N=N/C(=O)c2ccccc12
(2) InChI: InChI=1/C8H4N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H
(3) InChIKey: YSZIOXAEADAJLX-UHFFFAOYAX