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3,4,5-Triphenyl-4H-1,2,4-triazole

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Name

3,4,5-Triphenyl-4H-1,2,4-triazole

EINECS N/A
CAS No. 4073-72-7 Density 1.14 g/cm3
PSA 30.71000 LogP 4.60130
Solubility N/A Melting Point N/A
Formula C20H15N3 Boiling Point 508 °C at 760 mmHg
Molecular Weight 297.359 Flash Point 261 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4073-72-7 (3,4,5-TRIPHENYL-1,2,4-TRIAZOLE) Hazard Symbols N/A
Synonyms

3,4,5-Triphenyl-1,2,4-triazole;

Article Data 16

3,4,5-Triphenyl-4H-1,2,4-triazole Specification

The CAS register number of 3,4,5-Triphenyl-4H-1,2,4-triazole is 4073-72-7. It also can be called as 4H-1,2,4-Triazole,3,4,5-triphenyl- and the systematic name about this chemical is 3,4,5-triphenyl-4H-1,2,4-triazole. The molecular formula about this chemical is C20H15N3 and molecular weight is 297.35.

Physical properties about 3,4,5-Triphenyl-4H-1,2,4-triazole are: (1)ACD/LogP: 6.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.21; (4)ACD/LogD (pH 7.4): 6.21; (5)ACD/BCF (pH 5.5): 30950.27; (6)ACD/BCF (pH 7.4): 30954.76; (7)ACD/KOC (pH 5.5): 57014.3; (8)ACD/KOC (pH 7.4): 57022.57; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 30.71Å2; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 94.58 cm3; (14)Molar Volume: 260.6 cm3; (15)Polarizability: 37.49x10-24cm3; (16)Surface Tension: 46.5 dyne/cm; (17)Enthalpy of Vaporization: 77.82 kJ/mol; (18)Boiling Point: 508 °C at 760 mmHg; (19)Vapour Pressure: 1.93E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nc(n(c1c2ccccc2)c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C20H15N3/c1-4-10-16(11-5-1)19-21-22-20(17-12-6-2-7-13-17)23(19)18-14-8-3-9-15-18/h1-15H
(3)InChIKey: LLTSIOOHJBUDCP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C20H15N3/c1-4-10-16(11-5-1)19-21-22-20(17-12-6-2-7-13-17)23(19)18-14-8-3-9-15-18/h1-15H
(5)Std. InChIKey: LLTSIOOHJBUDCP-UHFFFAOYSA-N

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