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Name |
4-(4-Hydroxyphenyl)-1,2,4-triazole |
EINECS | N/A |
CAS No. | 98581-86-3 | Density | 1.32g/cm3 |
PSA | 50.94000 | LogP | 0.97290 |
Solubility | N/A | Melting Point |
285-286 ºC |
Formula | C8H7N3O | Boiling Point | 371.4 °C at 760 mmHg |
Molecular Weight | 161.163 | Flash Point | 178.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-Hydroxyphenyl)-1,2,4-triazole; |
Article Data | 5 |
The 4-(4-Hydroxyphenyl)-1,2,4-triazole, with CAS registry number 98581-86-3, has the systematic name of 4-(1,2,4-triazol-4-yl)phenol. And its IUPAC name is the same one. Besides this, it is also called phenol, 4-(4H-1,2,4-triazol-4-yl)-. And the chemical formula of this chemical is C8H7N3O.
Physical properties of 4-(4-Hydroxyphenyl)-1,2,4-triazole: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.58; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 50.94 Å2; (9)Index of Refraction: 1.665; (10)Molar Refractivity: 45.22 cm3; (11)Molar Volume: 121.7 cm3; (12)Polarizability: 17.93×10-24cm3; (13)Surface Tension: 55.9 dyne/cm; (14)Enthalpy of Vaporization: 64.27 kJ/mol; (15)Vapour Pressure: 4.83E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1n2cnnc2)O
(2)InChI: InChI=1/C8H7N3O/c12-8-3-1-7(2-4-8)11-5-9-10-6-11/h1-6,12H
(3)InChIKey: RIBPDWQKLGLSLS-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-5-9-10-6-11/h1-6,12H
(5)Std. InChIKey: RIBPDWQKLGLSLS-UHFFFAOYSA-N