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| CAS No.: | 592-55-2 |
|---|---|
| Name: | 2-Bromoethyl ethyl ether |
| Molecular Structure: | |
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| Formula: | C4H9BrO |
| Molecular Weight: | 153.019 |
| Synonyms: | Ether,2-bromoethyl ethyl (6CI,7CI,8CI);1-Bromo-2-ethoxyethane;1-Bromo-2-ethoxyethylene;1-Bromo-3-oxapentane;1-Ethoxy-2-bromoethane;2-Bromoethoxyethane;2-Ethoxyethyl bromide;5-Bromo-3-oxapentane;NSC 8026; |
| EINECS: | 209-763-6 |
| Density: | 1.341 g/cm3 |
| Melting Point: | -57ºC |
| Boiling Point: | 127.499 °C at 760 mmHg |
| Flash Point: | 21.111 °C |
| Solubility: | slightly soluble in water |
| Appearance: | clear colorless to brown liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 26-37/39-16 |
| Transport Information: | UN 2340 3/PG 2 |
| PSA: | 9.23000 |
| LogP: | 1.41780 |
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Specification
The Ethane,1-bromo-2-ethoxy-, with its cas registry number 592-55-2, has the IUPAC name of 1-bromo-2-ethoxyethane. This is a kind of clear colorless to brown liquid and it is soluble in water and slightly denser than water. This chemical could react violently with strong oxidizing agents but it may also be relatively inert when involved in the breaking of the carbon-oxygen bond in other reactions. In addition, it is usually used as the organic synthesis intermediate, with the product categories including Ethers; Organic Building Blocks; Oxygen Compounds.
The characteristics of this chemical are as follows: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.16; (6)ACD/BCF (pH 7.4): 7.16; (7)ACD/KOC (pH 5.5): 142.45; (8)ACD/KOC (pH 7.4): 142.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 30.05 cm3; (15)Molar Volume: 114.1 cm3; (16)Polarizability: 11.91× 10-24 cm3; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 1.341 g/cm3; (19)Flash Point: 21.1 °C; (20)Enthalpy of Vaporization: 35.02 kJ/mol; (21)Boiling Point: 127.5 °C at 760 mmHg; (22)Vapour Pressure: 13.5 mmHg at 25°C; (23)Exact Mass: 151.983678; (24)MonoIsotopic Mass: 151.983678; (25)Topological Polar Surface Area: 9.2; (26)Heavy Atom Count: 6; (27)Formal Charge: 0; (28)Complexity: 23.5.
The production method of this chemical is below: Add phosphorus tribromide into the 2-ethoxy-ethanol and then heat to get backflow; Next distill out the distillate in the temperature below 150 °C, and then wash out, dry to get the products with the yield of 60%.
When you are dealing with this chemical, you should pay more attention to its hazards. For one thing, it is irritant to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is flammable which could reflected from three ways: The first is that it will be easily ignited by heat, sparks or flames; The second is that its vapors may form explosive mixtures with air; And then its containers may explode when heated. What's more, it is toxic which may cause toxic effects. And it brings to us dangers through the following ways: Inhalation or contact with material may irritate or burn skin and eyes; Fire will produce irritating, corrosive and/or toxic gases; Vapors may cause dizziness or suffocation; Runoff from fire control or dilution water may cause pollution.
Therefore, you should take the following instructions to protect yourself. Wear suitable gloves and eye/face protection, and then keep away from sources of ignition - No smoking. Besides, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOCCBr
(2)InChI: InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3
(3)InChIKey: MMYKTRPLXXWLBC-UHFFFAOYSA-N