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6414-69-3

Basic Information
CAS No.: 6414-69-3
Name: ETHYL-BETA-IODOPROPIONATE
Article Data: 23
Molecular Structure:
Molecular Structure of 6414-69-3 (ETHYL-BETA-IODOPROPIONATE)
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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  • ethyl3-iodopropanoate

  • Casno:

    6414-69-3

    ethyl3-iodopropanoate

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    High quality Application:Pharmaceutial

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  • 3-Iodo propanoic acid ethyl ester

  • Casno:

    6414-69-3

    3-Iodo propanoic acid ethyl ester

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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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.

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%.

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