| Identification | |
| Name: | 5-Isoxazolecarboxylicacid, 3-bromo-, ethyl ester |
| Synonyms: | 3-Bromo-5-(ethoxycarbonyl)isoxazole; |
| CAS: | 105174-97-8 |
| Molecular Formula: | C6H6BrNO3 |
| Molecular Weight: | 220.02 |
| InChI: | InChI=1/C6H6BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.617 g/cm3 |
| Refractive index: | 1.511 |
| Specification: |
The Ethyl 3-bromoisoxazole-5-carboxylate is an organic compound with the formula C6H6BrNO3. The IUPAC name of this chemical is Ethyl 3-bromo-1,2-oxazole-5-carboxylate. With the CAS registry number 105174-97-8, it is also named as ethyl 3-bromo-1,2-oxazole-5-carboxylate. The product's categories are Isoxazole Series; API Intermediates. Physical properties about Ethyl 3-bromoisoxazole-5-carboxylate are: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 117; (7)ACD/KOC (pH 7.4): 117; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.33Å2; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 40.74 cm3; (13)Molar Volume: 136.036 cm3; (14)Polarizability: 16.151×10-24cm3; (15)Surface Tension: 44.085 dyne/cm; (16)Density: 1.617 g/cm3; (17)Flash Point: 122.616 °C; (18)Enthalpy of Vaporization: 51.78 kJ/mol; (19)Boiling Point: 279.134 °C at 760 mmHg; (20)Vapour Pressure: 0.004 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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