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| CAS No.: | 539-74-2 |
|---|---|
| Name: | Ethyl 3-bromopropionate |
| Article Data: | 25 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H9BrO2 |
| Molecular Weight: | 181.029 |
| Synonyms: | Propionicacid, 3-bromo-, ethyl ester (6CI,7CI,8CI);2-Ethoxycarbonylethyl bromide;3-Bromopropanoic acid ethyl ester;3-Bromopropionic acid ethyl ester;Ethyl3-bromopropanoate;Ethyl 3-bromopropionate;Ethyl b-bromopropionate;NSC 21812;b-Bromopropionic acid ethyl ester; |
| EINECS: | 208-724-0 |
| Density: | 1.417 g/cm3 |
| Melting Point: | 184-186 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 179 °C at 760 mmHg |
| Flash Point: | 79.4 °C |
| Solubility: | Soluble in water, alcohol, chloroform, benzene. |
| Appearance: | clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 26.30000 |
| LogP: | 1.33450 |
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| Conditions | Yield |
|---|---|
| With hydrogen bromide In diethyl ether at 0 - 5℃; for 12h; | 99% |
| With diethyl ether; hydrogen bromide erst unter Eiskuehlung, zuletzt bei Raumtemperatur; | |
| With hydrogen bromide | |
| With hydrogen bromide; dibenzoyl peroxide In diethyl ether |
| Conditions | Yield |
|---|---|
| With hydroquinone In ethanol at 20 - 55℃; for 2h; | 91% |
- 623-71-2
ethyl 3-chloropropanoate
A
- 539-74-2
Ethyl 3-bromopropionate
B
- 51070-66-7
2-bromo-2’-chlorodiethyl ether
| Conditions | Yield |
|---|---|
| With sodium bromide; 1,2-dibromomethane In N,N-dimethyl-formamide at 100℃; for 6h; | A 85% B n/a |
| Conditions | Yield |
|---|---|
| With Acetyl bromide; 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol at 20 - 50℃; for 2h; Overall yield = 11.6 g; | A n/a B 53.4% |
| Conditions | Yield |
|---|---|
| With Acetyl bromide; hydroquinone; ethyl acrylate at 20 - 50℃; for 2h; Overall yield = 88.5 g; | A n/a B 53% |
- 67-56-1
methanol
- 140-88-5
ethyl acrylate
A
- 539-74-2
Ethyl 3-bromopropionate
B
- 3395-91-3
Methyl 3-bromopropionate
| Conditions | Yield |
|---|---|
| With Acetyl bromide; hydroquinone at 20 - 55℃; for 2h; Overall yield = 92.3 g; | A 51% B n/a |
| Conditions | Yield |
|---|---|
| Zeitlicher Verlauf unter Belichtung; |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; phenol-2-sulfonic acid und entfernt das entstehende Wasser kontinuierlich mittels einer geeigneten Vorrichtung; | |
| With tetrachloromethane; 5-sulfosalicylic Acid und entfernt das entstehende Wasser kontinuierlich mittels einer geeigneten Vorrichtung; | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| durch Veresterung; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 2 - 5℃; |
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Chemistry
Molecular structure of Propanoic acid,3-bromo-, ethyl ester (CAS NO.539-74-2) is:
Product Name: Propanoic acid,3-bromo-, ethyl ester
CAS Registry Number: 539-74-2
IUPAC Name: Ethyl 3-bromopropanoate
Molecular Weight: 181.02776 [g/mol]
Molecular Formula: C5H9BrO2
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Refractive index: n20/D 1.452(lit.)
Sensitive: Light Sensitive
Surface Tension: 33.7 dyne/cm
Density: 1.417 g/cm3
Flash Point: 79.4 °C
Enthalpy of Vaporization: 41.53 kJ/mol
Boiling Point: 179 °C at 760 mmHg
Vapour Pressure: 0.962 mmHg at 25°C
EINECS: 208-724-0
Product Categories: Pharmaceutical Intermediates;C2 to C5;Carbonyl Compounds;Esters
Safety Profile
Safty information about Propanoic acid,3-bromo-, ethyl ester (CAS NO.539-74-2) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Specification
Propanoic acid,3-bromo-, ethyl ester , its cas register number is 539-74-2. It also can be called Ethyl 3-bromopropanoate ; Ethyl 3-bromopropionate ; Ethyl beta-bromopropionate .It is a clear colorless to pale yellow liquid.