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| CAS No.: | 25542-62-5 |
|---|---|
| Name: | Ethyl 6-bromohexanoate |
| Article Data: | 34 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H15BrO2 |
| Molecular Weight: | 223.11 |
| Synonyms: | 5-Carbethoxypentylbromide;6-Bromohexanoic acid ethyl ester;Ethyl 6-bromocaproate;Ethyl6-bromohexanoate; |
| EINECS: | 247-085-2 |
| Density: | 1.258 g/cm3 |
| Melting Point: | 33ºC |
| Boiling Point: | 249.3 °C at 760 mmHg |
| Flash Point: | 118.2 °C |
| Solubility: | Soluble in water (water, 64.76 mg/L @ 25°C (est.)). |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 2.50480 |
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Chemistry
IUPAC Name: Ethyl 6-bromohexanoate
Synonyms of Ethyl 6-bromohexanoate (CAS NO.25542-62-5): 6-Bromohexanoic acid ethyl ester
CAS NO: 25542-62-5
The Molecular Formula: C8H15BrO2
The Molecular Weight: 223.11
Molecular Structure : 
EINECS: 247-085-2
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 26.3 Å2
Boiling Point: 249.3 °C at 760 mmHg
Flash Point: 118.2 °C
Index of Refraction: 1.46
Molar Refractivity: 48.61 cm3
Molar Volume: 177.2 cm3
Surface Tension: 33.7 dyne/cm
Density: 1.258 g/cm3
Enthalpy of Vaporization: 48.65 kJ/mol
Vapour Pressure: 0.0231 mmHg at 25°C
Appearance: clear colorless liquid
Product Categories of Ethyl 6-bromohexanoate (CAS NO.25542-62-5): Pharmaceutical Intermediates;Acids & Esters;Bromine Compounds
SMILES: BrCCCCCC(=O)OCC
InChI: InChI=1/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChIKey: DXBULVYHTICWKT-UHFFFAOYAX
Std. InChI: InChI=1S/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
Std. InChIKey: DXBULVYHTICWKT-UHFFFAOYSA-N
Safety Profile
Safety Information about Ethyl 6-bromohexanoate (CAS NO.25542-62-5):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
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.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
F: 19
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media: Use carbon dioxide or dry chemical.
Handling: Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.