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| CAS No.: | 15031-12-6 |
|---|---|
| Name: | 5-ethoxy-1,3-oxazole |
| Molecular Structure: | |
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| Formula: | C5H7NO2 |
| Molecular Weight: | 113.116 |
| Synonyms: | 5-Ethoxy-1,3-oxazole; |
| Density: | 1.067 g/cm3 |
| Boiling Point: | 157.6 °C at 760 mmHg |
| Flash Point: | 49.1 °C |
| PSA: | 35.26000 |
| LogP: | 1.07330 |
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Specification
The IUPAC of this chemical is 5-ethoxy-1,3-oxazole. With the CAS registry number 15031-12-6, it is also named as 5-Ethoxyoxazole. In addition, the formula is C5H7NO2 and the molecular weight is 113.1146. It should be stored in a cool environment.
Physical properties about this chemical are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.26 Å2; (7)Index of Refraction: 1.44; (8)Molar Refractivity: 27.95 cm3; (9)Molar Volume: 105.9 cm3; (10)Polarizability: 11.08 ×10-24cm3; (11)Surface Tension: 31.9 dyne/cm; (12)Density: 1.067 g/cm3; (13)Flash Point: 49.1 °C; (14)Enthalpy of Vaporization: 37.81 kJ/mol; (15)Boiling Point: 157.6 °C at 760 mmHg; (16)Vapour Pressure: 3.53 mmHg at 25°C.
Uses of 5-Ethoxyoxazole: it can react with acrylonitrile to give 3-hydroxy-4-cyanopyridine. This reaction will occur at ambient temperature for 48 hours. The yield is 55%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ocnc1)CC
(2)InChI: InChI=1/C5H7NO2/c1-2-7-5-3-6-4-8-5/h3-4H,2H2,1H3
(3)InChIKey: BNMZAQRFVVJHOT-UHFFFAOYAT