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| CAS No.: | 6414-69-3 |
|---|---|
| Name: | ETHYL-BETA-IODOPROPIONATE |
| Molecular Structure: | |
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| Formula: | C5H9IO2 |
| Molecular Weight: | 228.03 |
| Synonyms: | Propionicacid, 3-iodo-, ethyl ester (7CI,8CI);3-Iodopropanoic acid ethyl ester;Ethyl3-iodopropanoate;Ethyl 3-iodopropionate; |
| Density: | 1.71 g/cm3 |
| Boiling Point: | 202.727 °C at 760 mmHg |
| Flash Point: | 76.407 °C |
| PSA: | 26.30000 |
| LogP: | 1.37460 |
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Specification
The Ethyl beta-iodopropionate, with the CAS registry number 6414-69-3, is also known as Ethyl β-iodopropionate. This chemical's molecular formula is C5H9IO2 and molecular weight is 228.0282. Its systematic name is called ethyl 3-iodopropanoate.
Physical properties of Ethyl beta-iodopropionate: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 305; (8)ACD/KOC (pH 7.4): 305; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 39.958 cm3; (14)Molar Volume: 133.378 cm3; (15)Surface Tension: 37.38 dyne/cm; (16)Density: 1.71 g/cm3; (17)Flash Point: 76.407 °C; (18)Enthalpy of Vaporization: 43.895 kJ/mol; (19)Boiling Point: 202.727 °C at 760 mmHg; (20)Vapour Pressure: 0.288 mmHg at 25°C.
Preparation: this chemical can be prepared by acrylic acid ethyl ester. This reaction will need reagent hydrogen iodide.
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Uses of Ethyl beta-iodopropionate: it can be used to produce 5,5-diphenyl-dihydro-furan-2-one at ambient temperature. This reaction will need reagent Ce and solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 32%.
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You can still convert the following datas into molecular structure:
(1)SMILES: ICCC(=O)OCC
(2)InChI: InChI=1/C5H9IO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
(3)InChIKey: KZTNQOAFISZIEI-UHFFFAOYAA