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| CAS No.: | 40258-78-4 |
|---|---|
| Name: | 1-Bromoethyl acetate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4H7BrO2 |
| Molecular Weight: | 167.002 |
| Synonyms: | Ethanol,1-bromo-, acetate (6CI,7CI,9CI);1-Acetoxyethylbromide;a-Bromoethyl acetate; |
| EINECS: | 609-807-8 |
| Density: | 1.496 g/cm3 |
| Boiling Point: | 141.555 °C at 760 mmHg |
| Flash Point: | 68.548 °C |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 1.29040 |
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| Conditions | Yield |
|---|---|
| With hydrogen bromide In dichloromethane at 5 - 10℃; for 1.5h; Inert atmosphere; | 90.7% |
- 108-05-4
vinyl acetate
- 40258-78-4
1-bromoethyl acetate
| Conditions | Yield |
|---|---|
| With iron(III) oxide; tetrabromosilane In water at 12 - 20℃; for 0.5h; Temperature; | 89% |
| With hydrogen bromide; toluene-4-sulfonic acid at 15 - 25℃; for 4h; Reagent/catalyst; Temperature; | 85.7% |
| With hydrogen bromide at 35℃; for 1h; | 84% |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at -5 - 5℃; for 5h; Temperature; | 80.06% |
| Conditions | Yield |
|---|---|
| at 130℃; |
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide; copper dichloride In ethyl acetate at 8 - 30℃; for 1.5h; Temperature; Concentration; | 98.2% |
- 277313-34-5
6-chloro-2-[5-hydroxy-2-(2-methoxyethoxymethoxy)biphenyl-3-yl]-1-methansulfonyl-1H-indole-5-carbonitrile
- 40258-78-4
1-bromoethyl acetate
| Conditions | Yield |
|---|---|
| With potassium carbonate; sodium iodide In acetonitrile at 20℃; for 18h; | 98% |
| Conditions | Yield |
|---|---|
| With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 20℃; | 98% |
- 40258-78-4
1-bromoethyl acetate
- 51146-56-6
(S)-ibuprofen
- 1418602-99-9
(S)-(+)-ibuprofen-1-acetoxy ethyl ester
| Conditions | Yield |
|---|---|
| With potassium hydrogencarbonate In acetone at 20 - 25℃; | 91.5% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 10℃; for 3h; | 91.5% |
- 40258-78-4
1-bromoethyl acetate
- 51146-57-7
(R)-ibuprofene
- 1418602-98-8
(R)-(-)-ibuprofen-1-acetoxy ethyl ester
| Conditions | Yield |
|---|---|
| With potassium hydrogencarbonate In acetone at 20 - 25℃; | 91.4% |
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Specification
The CAS register number of 1-Bromoethyl acetate is 40258-78-4. It also can be called as Ethanol, 1-bromo-,1-acetate and the systematic name about this chemical is Ethanol, 1-bromo-,1-acetate. The molecular formula about this chemical is C4H7BrO2 and the molecular weight is 167.00.
Physical properties about 1-Bromoethyl acetate are: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 110; (7)ACD/KOC (pH 7.4): 110; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 30.046 cm3; (13)Molar Volume: 111.603 cm3; (14)Polarizability: 11.911x10-24cm3; (15)Surface Tension: 32.053 dyne/cm; (16)Enthalpy of Vaporization: 37.874 kJ/mol; (17)Boiling Point: 141.555 °C at 760 mmHg; (18)Vapour Pressure: 5.824 mmHg at 25°C.
Uses of 1-Bromoethyl acetate: it can be used to produce Essigsaeure-(2,4,6,8-cyclononatetraenyl)methylester with Lithium-cyclononatetraenid at temperature of -20 ℃. This reaction will need solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 61%.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(OC(=O)C)C
(2)InChI: InChI=1/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(3)InChIKey: IIASCQBFNHWZBE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(5)Std. InChIKey: IIASCQBFNHWZBE-UHFFFAOYSA-N