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2969-81-5

Basic Information
CAS No.: 2969-81-5
Name: Ethyl 4-bromobutyrate
Article Data: 36
Molecular Structure:
Molecular Structure of 2969-81-5 (Ethyl 4-bromobutyrate)
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: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-22
Safety: 26-36-37/39
Transport Information: UN 2929
PSA: 26.30000
LogP: 1.72460
Synthetic route
64-17-5

ethanol

2623-87-2

bromobutyric acid

2969-81-5

4-bromoethylbutanoate

Conditions
ConditionsYield
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;
96-48-0

4-butanolide

64-17-5

ethanol

2969-81-5

4-bromoethylbutanoate

Conditions
ConditionsYield
With hydrogen bromide79%
With hydrogen bromide
With hydrogen bromide In benzene
(i) aq. HBr, (ii) SOCl2, (iii) /BRN= 1718733/; Multistep reaction;
With hydrogen bromide
1191-95-3

cyclobutanone

1801-77-0

oxovanadium(V) ethoxydichloride

2969-81-5

4-bromoethylbutanoate

Conditions
ConditionsYield
With Bromotrichloromethane In diethyl ether for 13h; Ambient temperature;60%
64-17-5

ethanol

927-58-2

4-bromobutyroyl chloride

2969-81-5

4-bromoethylbutanoate

64-17-5

ethanol

56489-06-6

4-bromobutyryl bromide

2969-81-5

4-bromoethylbutanoate

1617-18-1

ethyl 3-butenoate

2969-81-5

4-bromoethylbutanoate

Conditions
ConditionsYield
With hydrogen bromide
64-17-5

ethanol

5332-06-9

4-bromobutanenitrile

2969-81-5

4-bromoethylbutanoate

Conditions
ConditionsYield
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
ConditionsYield
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;
1617-18-1

ethyl 3-butenoate

10035-10-6, 12258-64-9

hydrogen bromide

2969-81-5

4-bromoethylbutanoate

2623-87-2

bromobutyric acid

2969-81-5

4-bromoethylbutanoate

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; ethanol; dichloromethane3 g (85.5%)
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    Ethyl 4-bromobutyrate CAS No.:2969-81-5 Name: Ethyl 4-bromobutyrate Synonyms: 4-Bromobutyric acid ethyl ester Molecular Structure Molecular Formula: C6H11BrO2 Molecular Weight: 195.05

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Chemistry

 
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 cm
Molar Volume: 144.2 cm3 
Polarizability: 15.6×10-24 cm
Surface Tension: 33.7 dyne/cm 
Density: 1.352 g/cm
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: IrritantXi, HarmfulXn
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.