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Name |
2-Oxazoleacetonitrile |
EINECS | N/A |
CAS No. | 809533-78-6 | Density | 1.179 g/cm3 |
PSA | 49.82000 | LogP | 0.74068 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4N2O | Boiling Point | 206.1 °C at 760 mmHg |
Molecular Weight | 108.1 | Flash Point | 78.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Cyanomethyl-1,3-oxazole; |
The 2-Oxazoleacetonitrile is an organic compound with the formula C5H4N2O. The systematic name of this chemical is 1,3-Oxazol-2-ylacetonitrile. The CAS registry number of this chemical is 809533-78-6. Besides, its molecular weight is 108.1.
Physical properties about 2-Oxazoleacetonitrile are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 15.31; (4)ACD/KOC (pH 7.4): 15.31; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 49.82 Å2; (8)Index of Refraction: 1.481; (9)Molar Refractivity: 26.1 cm3; (10)Molar Volume: 91.6 cm3; (11)Polarizability: 10.34×10-24 cm3; (12)Surface Tension: 47.2 dyne/cm; (13)Density: 1.179 g/cm3; (14)Flash Point: 78.5 °C; (15)Enthalpy of Vaporization: 44.24 kJ/mol; (16)Boiling Point: 206.1 °C at 760 mmHg; (17)Vapour Pressure: 0.241 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
(2)InChIKey: GBVNLARDRLKRNJ-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
(4)Std. InChIKey: GBVNLARDRLKRNJ-UHFFFAOYSA-N