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Name |
1H-1,2,4-Triazole, 3-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 60406-75-9 | Density | 1.563 g/cm3 |
PSA | 41.57000 | LogP | 0.82350 |
Solubility | N/A | Melting Point |
80-81 °C |
Formula | C3H2F3N3 | Boiling Point | 160.649 °C at 760 mmHg |
Molecular Weight | 137.064 | Flash Point | 50.959 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
3-(Trifluoromethyl)-1H-1,2,4-triazole; |
Article Data | 8 |
The 1H-1,2,4-Triazole, 3-(trifluoromethyl)- has the CAS registry number 60406-75-9. This chemical's molecular formula is C3H2F3N3 and molecular weight is 137.06. What's more, its systematic name is 3-(trifluoromethyl)-1H-1,2,4-triazole.
Physical properties of 1H-1,2,4-Triazole, 3-(trifluoromethyl)- are: (1)ACD/LogP: -1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 80; (8)ACD/KOC (pH 7.4): 50; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 21.848 cm3; (15)Molar Volume: 87.714 cm3; (16)Polarizability: 8.661×10-24cm3; (17)Surface Tension: 34.371 dyne/cm; (18)Density: 1.563 g/cm3; (19)Flash Point: 50.959 °C; (20)Enthalpy of Vaporization: 39.725 kJ/mol; (21)Boiling Point: 160.649 °C at 760 mmHg; (22)Vapour Pressure: 2.361 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncnn1
(2)InChI: InChI=1S/C3H2F3N3/c4-3(5,6)2-7-1-8-9-2/h1H,(H,7,8,9)
(3)InChIKey: KZAQTVQJVOALDK-UHFFFAOYSA-N