-
Name
1-(2-HYDROXYETHYL)-1,2,4-TRIAZOLE
- EINECS
- CAS No. 3273-14-1
- Article Data11
- CAS DataBase
- Density 1.32 g/cm3
- Solubility
- Melting Point 54-56 °C(Solv: ethyl acetate (141-78-6))
- Formula C4H7N3O
- Boiling Point 299.6 °C at 760 mmHg
- Molecular Weight 113.119
- Flash Point 135 °C
- Transport Information UN1993
- Appearance
- Safety 16
- Risk Codes 10
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 50.94000
- LogP -0.72960
1H-1,2,4-Triazole-1-ethanol Specification
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
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