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| CAS No.: | 34133-58-9 |
|---|---|
| Name: | 2,4-DIAMINO-PHENOL |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C8H4N2O |
| Molecular Weight: | 144.133 |
| Synonyms: | 4-Hydroxybenzene-1, 3-dicarbonitrile; |
| Density: | 1.343 g/cm3 |
| Boiling Point: | 319.296 °C at 760 mmHg |
| Flash Point: | 146.905 °C |
| PSA: | 67.81000 |
| LogP: | 1.13556 |
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Specification
The 4-Hydroxyisophthalonitrile, with the CAS registry number of 34133-58-9, is also known as TL80090969. This chemical's molecular formula is C8H4N2O and molecular weight is 144.1302. What's more, its IUPAC name is 4-Hydroxybenzene-1, 3-dicarbonitrile.
Physical properties about 4-Hydroxyisophthalonitrile are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 67.81 Å2; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 37.416 cm3; (14)Molar Volume: 107.3 cm3; (15)Surface Tension: 75.122 dyne/cm; (16)Density: 1.343 g/cm3; (17)Flash Point: 146.905 °C; (18)Enthalpy of Vaporization: 58.319 kJ/mol; (19)Boiling Point: 319.296 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(ccc1O)C#N
(2) InChI: InChI=1/C8H4N2O/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,11H
(3) InChIKey: QESYLFCJDFCRIT-UHFFFAOYAK