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| CAS No.: | 14660-52-7 |
|---|---|
| Name: | Ethyl 5-bromovalerate |
| Article Data: | 26 |
| Molecular Structure: | |
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|
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| Formula: | C7H13BrO2 |
| Molecular Weight: | 209.083 |
| Synonyms: | Valericacid, 5-bromo-, ethyl ester (6CI,7CI,8CI);5-Bromopentanoate ethyl ester;5-Bromopentanoic acid ethyl ester;5-Bromovaleric acid ethyl ester;Ethyl5-bromopentanoate;Ethyl d-bromovalerate; |
| EINECS: | 238-705-2 |
| Density: | 1.3 g/cm3 |
| Boiling Point: | 229 °C at 760 mmHg |
| Flash Point: | 103.9 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 26.30000 |
| LogP: | 2.11470 |
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Chemistry
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IUPAC Name: Ethyl 5-bromopentanoate
Molecular Formula: C7H13BrO2
Molecular Weight: 209.08 g/mol
Canonical SMILES: C(=O)(OCC)CCCCBr
InChI: InChI=1/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
EINECS: 238-705-2
Product Categories: Pharmaceutical Intermediates; Miscellaneous; Acids & Esters; Bromine Compounds; C6 to C7; Carbonyl Compounds; Esters
Sensitive: Light Sensitive
Storage temperature: Store at RT.
XLogP3-AA: 1.9
H-Bond Acceptor: 2
Index of Refraction: 1.459
Molar Refractivity: 43.98 cm3
Molar Volume: 160.7 cm3
Polarizability: 17.43×10-24 cm3
Surface Tension: 33.7 dyne/cm
Density: 1.3 g/cm3
Flash Point: 103.9 °C
Enthalpy of Vaporization: 46.56 kJ/mol
Boiling Point: 229 °C at 760 mmHg
Vapour Pressure of Ethyl 5-bromovalerate (CAS NO.14660-52-7): 0.0712 mmHg at 25 °C
Uses
Ethyl 5-bromovalerate (CAS NO.14660-52-7) is used as a useful pharmaceutical intermediate for the synthesis of 5-(2-Formyl-3-hydroxyphenoxy)pentanoic acid .
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
S24/25: Avoid contact with skin and eyes.
WGK Germany of Ethyl 5-bromovalerate (CAS NO.14660-52-7): 3
Specification
Ethyl 5-bromovalerate (CAS NO.14660-52-7), its Synonyms are Pentanoic acid, 5-bromo-, ethyl ester ; 5-Bromopentanoate ethyl ester ; Valeric acid, 5-bromo-, ethyl ester . It is clear colorless to pale yellow liquid.