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Ethyl 6-bromohexanoate

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Ethyl 6-bromohexanoate

EINECS 247-085-2
CAS No. 25542-62-5 Density 1.258 g/cm
PSA 26.30000 LogP 2.50480
Solubility Soluble in water (water, 64.76 mg/L @ 25°C (est.)). Melting Point 33ºC
Formula C8H15BrO2 Boiling Point 249.3 °C at 760 mmHg
Molecular Weight 223.11 Flash Point 118.2 °C
Transport Information UN 3272 Appearance clear colorless liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25542-62-5 (Ethyl 6-bromohexanoate) Hazard Symbols IrritantXi
Synonyms

5-Carbethoxypentylbromide;6-Bromohexanoic acid ethyl ester;Ethyl 6-bromocaproate;Ethyl6-bromohexanoate;

Article Data 34

Ethyl 6-bromohexanoate Chemical Properties

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 cm
Surface Tension: 33.7 dyne/cm 
Density: 1.258 g/cm
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

Ethyl 6-bromohexanoate Safety Profile

Safety Information about Ethyl 6-bromohexanoate (CAS NO.25542-62-5):
Hazard Codes: IrritantXi
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

Ethyl 6-bromohexanoate 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.

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