-
Name
ETHYL-BETA-IODOPROPIONATE
- EINECS
- CAS No. 6414-69-3
- Article Data23
- CAS DataBase
- Density 1.71 g/cm3
- Solubility
- Melting Point
- Formula C5H9IO2
- Boiling Point 202.727 °C at 760 mmHg
- Molecular Weight 228.03
- Flash Point 76.407 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Propionicacid, 3-iodo-, ethyl ester (7CI,8CI);3-Iodopropanoic acid ethyl ester;Ethyl3-iodopropanoate;Ethyl 3-iodopropionate;
- PSA 26.30000
- LogP 1.37460
Ethyl beta-iodopropionate 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
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