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| CAS No.: | 2969-81-5 |
|---|---|
| Name: | Ethyl 4-bromobutyrate |
| Article Data: | 36 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11BrO2 |
| Molecular Weight: | 195.056 |
| Synonyms: | Butyricacid, 4-bromo-, ethyl ester (6CI,7CI,8CI);1-Bromo-3-(carboethoxy)propane;3-(Ethoxycarbonyl)propylbromide;4-Bromobutanoic acid ethyl ester;4-Bromobutyric acid ethyl ester;Ethyl 4-bromobutanoate;Ethyl g-bromobutyrate;Butanoic acid, 4-bromo-, ethyl ester;g-Bromobutyric acid ethyl ester; |
| EINECS: | 221-005-6 |
| Density: | 1.352 g/cm3 |
| Melting Point: | 98-100 °C |
| Boiling Point: | 198.3 °C at 760 mmHg |
| Flash Point: | 90.6 °C |
| Solubility: | immiscible with water |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 2929 |
| PSA: | 26.30000 |
| LogP: | 1.72460 |
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| Conditions | Yield |
|---|---|
| Stage #1: bromobutyric acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 5h; Stage #2: ethanol In dichloromethane at 20℃; for 15h; | 84% |
| With tetrachloromethane; 5-sulfosalicylic Acid unter Entfernen des entstehenden Wassers; | |
| With sulfuric acid | |
| With sulfuric acid | |
| With acetyl chloride at 20℃; for 4h; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide | 79% |
| With hydrogen bromide | |
| With hydrogen bromide In benzene | |
| (i) aq. HBr, (ii) SOCl2, (iii) /BRN= 1718733/; Multistep reaction; | |
| With hydrogen bromide |
| Conditions | Yield |
|---|---|
| With Bromotrichloromethane In diethyl ether for 13h; Ambient temperature; | 60% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 36847-51-5
ethyl 2,4-dibromobutyrate
A
- 2969-81-5
4-bromoethylbutanoate
B
- 4606-07-9
ethyl cyclopropylcarboxylate
C
- 105-54-4
butanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 20℃; Product distribution; Mechanism; electrolysis; I*, napp; various conc. of the ester; in the presence and in the absence of 3,4-xylenol; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane; ethanol; dichloromethane | 3 g (85.5%) |
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Chemistry
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IUPAC Name: Ethyl 4-bromobutanoate
Molecular Formula: C6H11BrO2
Molecular Weight: 195.05 g/mol
SMILES: C(=O)(OCC)CCCBr
InChI: InChI=1/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
EINECS: 221-005-6
Product Categories: Acids & Esters;Bromine Compounds; C6 to C7; Carbonyl Compounds; Esters
Water Solubility: immiscible
Index of Refraction: 1.457
Molar Refractivity: 39.35 cm3
Molar Volume: 144.2 cm3
Polarizability: 15.6×10-24 cm3
Surface Tension: 33.7 dyne/cm
Density: 1.352 g/cm3
Flash Point: 90.6 °C
Enthalpy of Vaporization: 43.45 kJ/mol
Boiling Point: 198.3 °C at 760 mmHg
Vapour Pressure of Ethyl 4-bromobutyrate (CAS NO.2969-81-5): 0.362 mmHg at 25 °C
Uses
Ethyl 4-bromobutyrate (CAS NO.2969-81-5) is used as an intermediate for the synthesis of pharmaceutucals and other organic chemicals.
Safety Profile
Hazard Codes: 
Xi, 
Xn
Risk Statements: 36/37/38-22
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2929
WGK Germany of Ethyl 4-bromobutyrate (CAS NO.2969-81-5): 3
Specification
Ethyl 4-bromobutyrate (CAS NO.2969-81-5), its Synonyms are Butanoic acid, 4-bromo-, ethyl ester (9CI) ; 4-Bromobutanoic acid, ethyl ester ; Ethyl gamma-bromobutyrate . It is clear colorless to yellow liquid.