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| CAS No.: | 540-51-2 |
|---|---|
| Name: | 2-Bromoethanol |
| Article Data: | 70 |
| Molecular Structure: | |
|
|
|
| Formula: | C2H5BrO |
| Molecular Weight: | 124.965 |
| Synonyms: | 1-Bromo-2-ethanol;1-Bromo-2-hydroxyethane;2-Bromoethyl alcohol;2-Hydroxyethylbromide;Ethylene bromohydrin;Glycol bromohydrin;NSC 2869;b-Bromoethanol; |
| EINECS: | 208-748-1 |
| Density: | 1.729 g/cm3 |
| Melting Point: | -80 °C |
| Boiling Point: | 136.21 °C at 760 mmHg |
| Flash Point: | 57.134 °C |
| Solubility: | 1-5 g/100 mL at 19 °C in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 T, T+
|
| Risk Codes: | 10-26/27/28-36/37/38-40 |
| Safety: | 16-28A-36/37/39-45 |
| Transport Information: | UN 2922 8/PG 2 |
| PSA: | 20.23000 |
| LogP: | 0.37360 |
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| Conditions | Yield |
|---|---|
| With hydrogen bromide; dihydrogen peroxide at 45℃; for 0.666667h; Temperature; Reagent/catalyst; | 96.11% |
| With bromine | |
| With hypobromous acid | |
| With water; bromine | |
| With N-Bromosuccinimide; ammonium acetate; water In acetone at 40℃; under 4654.46 Torr; for 0.5h; Flow reactor; |
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2-(tert-butyldimethylsilyloxy)ethyl bromide
- 540-51-2
2-bromoethanol
| Conditions | Yield |
|---|---|
| With potassium hydrogensulfate In methanol at 20℃; for 1.5h; | 96% |
- 19686-73-8
1-bromo-2-propanol
- 540-51-2
2-bromoethanol
| Conditions | Yield |
|---|---|
| 61% |
| Conditions | Yield |
|---|---|
| With phosphorus tribromide for 3h; Cooling with ice; Reflux; | 60% |
| With phosphorus tribromide for 3h; Cooling with ice; Reflux; | 60% |
| With hydrogen bromide for 8h; Heating; | 49% |
- 33036-62-3
4-Bromo-1-butanol
- 540-51-2
2-bromoethanol
| Conditions | Yield |
|---|---|
| 58% |
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A
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2-(4-propylphenyl)ethanol
B
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rac-1-(4-propylphenyl)ethanol
C
- 540-51-2
2-bromoethanol
| Conditions | Yield |
|---|---|
| Stage #1: p-bromo-n-propylbenzene With magnesium In diethyl ether Heating; Stage #2: oxirane In diethyl ether | A 55% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With 1,2-dibromo-1,1,2,2-tetrachloroethane; triphenylphosphine In dichloromethane at 20℃; for 0.15h; Appel Halogenation; | A 50% B 45% |
| Conditions | Yield |
|---|---|
| Zers. des entstandenen Additionsproduktes mit Wasser; |
- 75-21-8
oxirane
- 14763-72-5
3-buten-1-ynylmagnesium bromide
A
- 28916-38-3
hex-5-en-3-yn-1-ol
B
- 540-51-2
2-bromoethanol
| Conditions | Yield |
|---|---|
| With hydrogen bromide | |
| With hydrogen bromide in der Gasphase; |
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Specification
The 2-Bromoethanol, with the CAS registry number 540-51-2, is also known as Ethylene bromohydrin. It belongs to the product categories of Pharmaceutical Intermediates; Omega-Bromoalkanols; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; ASTM 5578: Analysis of Ethylene Oxide in AirAlphabetic; A-BMethod Specific; Alpha Sort; ASTM Air Monitoring; B; BI - BZChemical Class; Bromo; Halogenated; Volatiles/ Semivolatiles. Its EINECS registry number is 208-748-1. This chemical's molecular formula is C2H5BrO and molecular weight is 124.96. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 2-Bromoethanol are: (1)ACD/LogP: 0.263; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 33.12; (8)ACD/KOC (pH 7.4): 33.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 20.581 cm3; (15)Molar Volume: 72.237 cm3; (16)Polarizability: 8.159×10-24cm3; (17)Surface Tension: 39.06 dyne/cm; (18)Density: 1.73 g/cm3; (19)Flash Point: 57.134 °C; (20)Enthalpy of Vaporization: 43.53 kJ/mol; (21)Boiling Point: 136.21 °C at 760 mmHg; (22)Vapour Pressure: 3.178 mmHg at 25 °C.
Preparation of 2-Bromoethanol: this chemical can be prepared by ethane-1,2-diol. The reaction occurs with reagent HBr and other condition of heating for 8 hours. The yield is 49 %.
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Uses of 2-Bromoethanol: (1) it is used as a solvent and organic synthetic raw material; (2) it is used to produce other chemicals. For example, it can react with piperidine to get 2-piperidin-1-yl-ethanol. This reaction needs reagent benzene at temperature of 80 °C. The reaction time is 72 hours. The yield is 85 %.
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When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels and it may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell you should seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCCO
(2) InChI: InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
(3) InChIKey: LDLCZOVUSADOIV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 80mg/kg (80mg/kg) | Toxicology and Applied Pharmacology. Vol. 23, Pg. 288, 1972. |