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| CAS No.: | 18742-02-4 |
|---|---|
| Name: | 2-(2-Bromoethyl)-1,3-dioxolane |
| Article Data: | 10 |
| Molecular Structure: | |
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|
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| Formula: | C5H9BrO2 |
| Molecular Weight: | 181.029 |
| Synonyms: | 1,1-(Ethylenedioxy)-3-bromopropane;1,3-Dioxolan-2-ylethyl bromide;1-Bromo-3,3-(ethylenedioxy)propane;2-(1,3-Dioxolan-2-yl)ethyl bromide;3,3-(Ethylenedioxy)propyl bromide;3-Bromopropanal ethylene acetal;3-Bromopropionaldehyde ethylene acetal;1,3-Dioxolane, 2-(2-bromoethyl)-;2-(2-Bromoethyl)-1,3-dioxolane; |
| EINECS: | 242-551-1 |
| Density: | 1.489 g/cm3 |
| Boiling Point: | 200.9 °C at 760 mmHg |
| Flash Point: | 85 °C |
| Solubility: | immiscible in water |
| Appearance: | Clear colorless to yellow or brown liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 18.46000 |
| LogP: | 1.14430 |
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Specification
The 2-(2-Bromoethyl)-1,3-dioxolane, with the CAS registry number 18742-02-4 and EINECS registry number 242-551-1, is also called 3-Bromopropionaldehyde ethylene acetal. It is a kind of clear colorless to yellow or brown liquid, and belongs to the following product categories: Miscellaneous; Dioxanes & Dioxolanes; Dioxolanes. And the molecular formula of this chemical is C5H9BrO2. What's more, this chemical is also sensitive to light, and should be stored at 2-8°C.
The physical properties of 2-(2-Bromoethyl)-1,3-dioxolane are as followings: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 1.6; (6)ACD/BCF (pH 7.4): 1.6; (7)ACD/KOC (pH 5.5): 48.75; (8)ACD/KOC (pH 7.4): 48.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 34.1 cm3; (15)Molar Volume: 121.5 cm3; (16)Polarizability: 13.51×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 85 °C; (20)nthalpy of Vaporization: 41.92 kJ/mol; (21)Boiling Point: 200.9 °C at 760 mmHg; (22)Vapour Pressure: 0.449 mmHg at 25°C.
Uses of 2-(2-Bromoethyl)-1,3-dioxolane: It can react with pyridine-3-carbaldehyde to produce 3-[1,3]dioxolan-2-yl-1-pyridin-3-yl-propan-1-ol. This reaction will need reagent Mg, and the solvent tetrahydrofuran. And the yield is about 90%.
![2-(2-Bromoethyl)-1,3-dioxolane can react with pyridine-3-carbaldehyde to produce 3-[1,3]dioxolan-2-yl-1-pyridin-3-yl-propan-1-ol](/UserFilesUpload/Uses of 2-(2-Bromoethyl)-1,3-dioxolane.jpg)
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCC1OCCO1
(2)InChI: InChI=1/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2
(3)InChIKey: GGZQLTVZPOGLCC-UHFFFAOYAK