1H-1,2,4-Triazole, 3-(trifluoromethyl)- supplier

Name
3-(trifluoromethyl)-1H-1,2,4-triazole(SALTDATA: FREE)
EINECS
CAS No. 60406-75-9
Article Data8
CAS DataBase
Density 1.563 g/cm³
Solubility
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
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 3-(Trifluoromethyl)-1H-1,2,4-triazole;
PSA 41.57000
LogP 0.82350

1H-1,2,4-Triazole, 3-(trifluoromethyl)- Specification

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

Product Name

3-(trifluoromethyl)-1H-1,2,4-triazole(SALTDATA: FREE)

1H-1,2,4-Triazole, 3-(trifluoromethyl)- Specification

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