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CAS No.: | 3273-14-1 |
---|---|
Name: | 1-(2-HYDROXYETHYL)-1,2,4-TRIAZOLE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C4H7N3O |
Molecular Weight: | 113.119 |
Synonyms: | 1,2,4-Triazole-1-ethanol;1-(2-Hydroxyethyl)-1,2,4-triazole;2-(1,2,4-Triazol-1-yl)ethanol;2-(1H-1,2,4-Triazol-1-yl)ethanol;N1-(2-Hydroxyethyl)-1,2,4-triazole; |
Density: | 1.32 g/cm3 |
Melting Point: | 54-56 °C(Solv: ethyl acetate (141-78-6)) |
Boiling Point: | 299.6 °C at 760 mmHg |
Flash Point: | 135 °C |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN1993 |
PSA: | 50.94000 |
LogP: | -0.72960 |
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The CAS register number of 1H-1,2,4-Triazole-1-ethanol is 3273-14-1. It also can be called as 1-(2-Hydroxyethyl)-1H-1,2,4-triazole and the IUPAC name about this chemical is 2-(1,2,4-triazol-1-yl)ethanol. The molecular formula about this chemical is C4H7N3O and the molecular weight is 113.12. This chemical is flammable. When you are using it, please keep away from sources of ignition.
Physical properties about 1H-1,2,4-Triazole-1-ethanol are: (1)ACD/LogP: -1.05; (2)ACD/LogD (pH 5.5): -1.05; (3)ACD/LogD (pH 7.4): -1.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.38; (7)ACD/KOC (pH 7.4): 6.4; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 39.94Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 29.34 cm3; (14)Molar Volume: 85.5 cm3; (15)Polarizability: 11.63x10-24cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Enthalpy of Vaporization: 56.99 kJ/mol; (18)Boiling Point: 299.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000526 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCn1ncnc1
(2)InChI: InChI=1/C4H7N3O/c8-2-1-7-4-5-3-6-7/h3-4,8H,1-2H2
(3)InChIKey: CLVALLQETQTQMV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H7N3O/c8-2-1-7-4-5-3-6-7/h3-4,8H,1-2H2
(5)Std. InChIKey: CLVALLQETQTQMV-UHFFFAOYSA-N