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Name |
2-Phenyl-1,2,3-triazole |
EINECS | N/A |
CAS No. | 51039-49-7 | Density | 1.16 g/cm3 |
PSA | 30.71000 | LogP | 1.26730 |
Solubility | N/A | Melting Point |
162℃ |
Formula | C8H7N3 | Boiling Point | 280.2 °C at 760 mmHg |
Molecular Weight | 145.164 | Flash Point | 123.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Phenyl-2H-1,2,3-triazole;2H-1,2,3-triazole, 2-phenyl-; |
Article Data | 19 |
The CAS register number of 2-Phenyl-1,2,3-triazole is 51039-49-7. It also can be called as 2H-1,2,3-triazole, 2-phenyl- and the systematic name about this chemical is 2-phenyl-2H-1,2,3-triazole. The molecular formula about this chemical is C8H7N3 and the molecular weight is 145.1613.
Physical properties about 2-Phenyl-1,2,3-triazole are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 13.79; (5)ACD/BCF (pH 7.4): 13.79; (6)ACD/KOC (pH 5.5): 227.63; (7)ACD/KOC (pH 7.4): 227.63; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.71 Å2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 44.37 cm3; (13)Molar Volume: 124.3 cm3; (14)Polarizability: 17.59x10-24cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 123.2 °C; (18)Enthalpy of Vaporization: 51.89 kJ/mol; (19)Boiling Point: 280.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00385 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnn1c2ccccc2
(2)InChI: InChI=1/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H
(3)InChIKey: JYBWAYHAOLQZJX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H
(5)Std. InChIKey: JYBWAYHAOLQZJX-UHFFFAOYSA-N