CAS No.4073-72-7,3,4,5-TRIPHENYL-1,2,4-TRIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4073-72-7
Name:	3,4,5-TRIPHENYL-1,2,4-TRIAZOLE
Article Data:	16

Formula:	C₂₀H₁₅N₃
Molecular Weight:	297.359
Synonyms:	3,4,5-Triphenyl-1,2,4-triazole;
Density:	1.14 g/cm³
Boiling Point:	508 °C at 760 mmHg
Flash Point:	261 °C
PSA:	30.71000
LogP:	4.60130

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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 C₂₀H₁₅N₃and 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