1,2-Dibromoethane CAS#: 106-93-4; ChemWhat Code: 31708
Identification
| Product Name | 1,2-Dibromoethane |
| IUPAC Name | 1,2-dibromoethane |
| Molecular Structure |  |
| CAS Registry Number | 106-93-4 |
| EINECS Number | 203-444-5 |
| MDL Number | MFCD00000233 |
| Beilstein Registry Number | 605266 |
| Synonyms | ethylene dibromide, 1,2-dibromoethane, dibromoethane’1,2-Dibromoethane |
| Molecular Formula | BrCH2CH2Br |
| Molecular Weight | 187.86 |
| InChI | InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2 |
| InChI Key | PAAZPARNPHGIKF-UHFFFAOYSA-N |
| Canonical SMILES | C(CBr)Br |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN110698442 | Preparation method of siganciclovir difumarate (by machine translation) | 2020 |
| CN111533712 | Alfacalcitol heterocyclic derivative as well as preparation method and application thereof (by machine translation) | 2020 |
| WO2019/129589 | METHODS FOR PREPARING FUEL ADDITIVES | 2019 |
| US2013/12522 | NEW DERIVATIVES OF PROPARGYLAMINE HAVING NEUROPROTECTIVE CAPACITY FOR THE TREATMENT OF ALZHEIMER’S AND PARKINSON’S DISEASES | 2013 |
| EP2562157 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | 2013 |
Physical Data
| Appearance | Light yellow to colorless liquid |
| Solubility | water: soluble250 part |
| Flash Point | 132ºC |
| Refractive index | n20/D 1.539(lit.) |
| Melting Point, °C | Solvent (Melting Point) |
| 9.5 | |
| 10.05 | |
| 10 | |
| 7.6 – 7.8 | |
| -15 – -12 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 131 | |
| 131.15 | 759.998 |
| 132 | 760 |
| 30 | 15 |
| 129 – 130 | 680 |
| 30 – 32 | 35 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.5356 | 589 | 25 |
| 1.5404 | 589.3 | 18.1 |
| 1.5351 | 632.8 | 20 |
| 1.52412 – 1.54057 | 589 | 15 – 45 |
| 1.5348 | 656.3 | 20 |
| 1.5443 | 546 | 17.6 |
| Density, g·cm-3 | Measurement Temperature, °C |
| 2.15867 | 29.99 |
| 2.1711 | 23.84 |
| 2.13696 – 2.17877 | 19.99 – 39.99 |
| 1.533 | -53.15 |
| 2.15967 | 30 |
| 2.0474 – 2.1699 | 20.8 – 81 |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Association with compound | methylene bonded 1,1,2,2-tetra(4-methoxyphenyl)ethene polymer | ||
| IR spectrum of the complex | CCl4 | 25 | 4-Fluorophenol |
| Stability constant of the complex with … | CCl4 | 25 | 4-Fluorophenol |
| Further physical properties of the complex | cyclohexane | 25 | N,N-dimethyl acetamide |
| Dipole moment of the complex | 25 | cyclohexane | |
| Enthalpy of association |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 101 |
| Chemical shifts | 1H | CDCl3 | |
| Chemical shifts | 13C | CDCl3 | |
| Chemical shifts | 1H | cyclohexane, various solvent(s) | |
| Spin-lattice relaxation time (T1) | |||
| NMR |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands | 1436.49 1/cm | |
| Bands | various solvent(s) | 1251 – 557 cm**(-1) |
| Spectrum | solid | 1500 – 600 cm**(-1) |
| Bands | CHCl3 | 1279 – 1186 cm**(-1) |
| Bands | solid | 1185 – 584 cm**(-1) |
| Bands | Zuordnung von C-H-Schwingungs-banden. | |
| IR |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
| gas chromatography mass spectrometry (GCMS), electron impact (EI), spectrum | |
| spectrum | |
| electron impact (EI), gas chromatography mass spectrometry (GCMS), spectrum | |
| time-of-flight mass spectra (TOFMS), spectrum | |
| spectrum, chemical ionization (CI) | |
| fragmentation pattern, chemical ionization (CI), electron impact (EI) | |
| MIKE (mass ion kinetic energy) | |
| spectrum, electron impact (EI) |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Absorption maxima | H2O, H2SO4 | 225 | |
| Absorption maxima | 200 | 885 | |
| Spectrum | heptane |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sodium hydroxide; tetrabutylammomium bromide In toluene at 20℃; for 4h; | 91% |
| With tetrabutylammomium bromide; sodium hydroxide In toluene at 20℃; for 4h; Experimental Procedure 26.1 (1) Synthesis of 1- (4-bromo-3-fluorophenyl) cyclopropanecarbonitrile (intermediate 7a) To a solution of 3-fluoro-4-bromophenylacetonitrile (2g, 9.2mmol) and 1,2-dibromoethane (0.6ml, 7mmol) in toluene (5ml) was added 50% NaOH (5mL) and TBAB (0.32g , 1 mmol). The mixture was stirred vigorously at room temperature for 4 hours, then diluted with water and extracted with ethyl acetate.The organic solution was washed with 1N HCl and then with brine, dried over anhydrous sodium sulfate and concentrated.Separation by column chromatography (eluent: PE / EA = 20/1, v / v), a yellow solid was obtained with a yield of 91%. | 91% |
| With sodium hydroxide; tetrabutylammomium bromide In water; toluene at 20℃; for 4h; Experimental Procedure A solution of 4-bromo-3-fluorophenylacetonitrile (Ig, 4.6 mmoles) in toluene (4 ml) is added with 0.6 ml (7 mmoles) of 1,2-dibromoethane, a 50% NaOH aqueous solution (4 ml) and tetrabutylammonium bromide (0.32 g, 1 mmoles). The mixture is kept under stirring at room temperature for 4 hours, then diluted with water and extracted with ethyl acetate. The organic phase is recovered and solvent is eliminated under vacuum to give a brown solid, which is subjected to silica gel chromatography purification, to afford an orange to yellow product in the solid form (I g, yield 90%). | 90% |
Safety and Hazards
| Pictogram(s) |     |
| Signal | Danger |
| GHS Hazard Statements | H300: Fatal if swallowed [Danger Acute toxicity, oral] H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H373: Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Class 6.1; Packaging Group: I; UN Number: 1605 |
| Under the room temperature and away from light | |
| HS Code | 293371 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Use Pattern |
| 1,2-Dibromoethane CAS#: 106-93-4 moderator of epoxidation of olefins |
| 1,2-Dibromoethane CAS#: 106-93-4 as fumigant |
| 1,2-Dibromoethane CAS#: 106-93-4 Oxidation promoter |
| crosslinking agent for polyvicinalamine polymers |
| pesticide |
| insecticide |
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