4-(4-Hydroxyphenyl)-1,2,4-triazole supplier

Name
4-(4H-1,2,4-Triazol-4-yl)phenol
EINECS
CAS No. 98581-86-3
Article Data5
CAS DataBase
Density 1.32g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Hydroxyphenyl)-1,2,4-triazole;
PSA 50.94000
LogP 0.97290

4-(4-Hydroxyphenyl)-1,2,4-triazole Specification

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

Product Name

4-(4H-1,2,4-Triazol-4-yl)phenol

4-(4-Hydroxyphenyl)-1,2,4-triazole Specification

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