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CAS No.: | 5414-19-7 |
---|---|
Name: | 2,2'-Dibromodiethyl ether |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C4H8Br2O |
Molecular Weight: | 231.915 |
Synonyms: | Ether,bis(2-bromoethyl) (6CI,7CI,8CI);1,1'-Oxybis[2-bromoethane];1,5-Dibromo-3-oxapentane;1-(2-Bromoethoxy)-2-bromoethane;1-Bromo-2-(2-bromoethoxy)ethane;2-(2-Bromoethoxy)ethyl bromide;2-Bromoethyl ether;3-Oxa-1,5-dibromopentane;Bis(2-bromoethyl) ether;Bis(b-bromoethyl) ether;Di(2-bromoethyl) ether;NSC 8025;b,b'-Dibromodiethyl ether; |
EINECS: | 226-504-2 |
Density: | 1.821 g/cm3 |
Boiling Point: | 216.3 °C at 760 mmHg |
Flash Point: | 85 °C |
Solubility: | immiscible in water |
Appearance: | colourless liquid |
Hazard Symbols: | T,Xi |
Risk Codes: | 61-37/38-41 |
Safety: | 53-26-36/37/39-45 |
PSA: | 9.23000 |
LogP: | 1.79280 |
1,1'-oxybis(2-bromo-ethane)
Conditions | Yield |
---|---|
With hydrogen bromide at 20℃; for 12h; Temperature; | 82.1% |
Conditions | Yield |
---|---|
With phosphorus tribromide at 0 - 60℃; for 13h; | 80% |
With phosphorus tribromide at 50 - 60℃; for 12h; | 80% |
With phosphorus tribromide for 9.5h; | 33% |
ethyl (2S)-2-[(diisopropylsilyl)oxy]propanoate
2-bromoethanol
A
1,1'-oxybis(2-bromo-ethane)
B
ethyl (2S)-2-{[(2-bromoethoxy)(diisopropyl)silyl]oxy}propanoate
Conditions | Yield |
---|---|
With bromopentacarbonylmanganese(I) In dichloromethane at 20℃; for 2h; | A n/a B 68% |
Conditions | Yield |
---|---|
With potassium bromide In ethylene dibromide; N,N-dimethyl-formamide for 24h; Reflux; | 65% |
diethylene glycol dimesylate
1,1'-oxybis(2-bromo-ethane)
Conditions | Yield |
---|---|
With lithium bromide In acetone for 20h; Heating / reflux; | 50% |
With lithium bromide In acetone for 20h; Heating; |
Conditions | Yield |
---|---|
With bromine | |
With bromine In tetrachloromethane |
Conditions | Yield |
---|---|
In toluene Reflux; Inert atmosphere; | 100% |
In toluene at 90℃; for 48h; | 99% |
In acetonitrile for 48h; Reflux; | 95% |
at 80℃; for 16h; | |
In 1,1,1-trichloroethane at 80℃; for 24h; |
1,1'-oxybis(2-bromo-ethane)
Conditions | Yield |
---|---|
Stage #1: cis-(+/-)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Stage #2: 1,1'-oxybis(2-bromo-ethane) In N,N-dimethyl-formamide; mineral oil for 0.25h; | 100% |
1,1'-oxybis(2-bromo-ethane)
Conditions | Yield |
---|---|
With sodium carbonate In acetonitrile at 75℃; for 48h; | 100% |
With triethylamine In N,N-dimethyl-formamide at 70℃; for 16h; |
1,1'-oxybis(2-bromo-ethane)
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; sodium hydroxide In toluene at 90℃; for 2.25h; Sealed tube; | 100% |
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The Ethane,1,1'-oxybis[2-bromo-, with the cas registry number 5414-19-7, has the IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane. Being a kind of colourless liquid, it is combustible and incompatible with oxidizing agents, acid chlorides, chloroformates, reducing agents, halogens. And its product categories are various, including Aliphatics; Halides; Ethers; Organic Building Blocks; Oxygen Compounds.
The characteristics of this chemical are as follows: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.64; (6)ACD/BCF (pH 7.4): 15.64; (7)ACD/KOC (pH 5.5): 249.2; (8)ACD/KOC (pH 7.4): 249.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 37.78 cm3; (15)Molar Volume: 127.2 cm3; (16)Polarizability: 14.98 ×10-24 cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.821 g/cm3; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 43.42 kJ/mol; (21)Boiling Point: 216.3 °C at 760 mmHg; (22)Vapour Pressure: 0.207 mmHg at 25°C; (23)Exact Mass: 231.892143; (24)MonoIsotopic Mass: 229.89419; (25)Topological Polar Surface Area: 9.2; (26)Heavy Atom Count: 7; (27)Formal Charge: 0; (28)Complexity: 28.9.
When you are dealing with this chemical, you should be much more careful. For being a kind of irritant chemical to respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. If inadequately used, it may have risk of serious damage to eyes and may cause harm to the unborn child. Then it is toxic which may at low levels cause damage to health. Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Then remember to avoid exposure - obtain special instructions before use.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(CBr)OCCBr
(2)InChI: InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
(3)InChIKey: FOZVXADQAHVUSV-UHFFFAOYSA-N