Ethyl 2-Bromooctanoate CAS No.:5445-29-4

Ethyl 2-Bromooctanoate CAS No.:5445-29-4

Ethyl 2-bromooctanoate Specification The cas register number of Ethyl 2-bromooctanoate is 5445-29-4. It also can be called as Octanoic acid,2-bromo-, ethyl ester and the IUPAC Name about this chemical is ethyl 2-bromooctanoate. Physical properties about Ethyl 2-bromooctanoate are: (1)ACD/LogP:...

Product Details

Name

Ethyl 2-bromooctanoate

EINECS

226-647-0

CAS No.

5445-29-4

Density

1.192 g/cm3

Solubility


Melting Point


Formula

C10H19BrO2

Boiling Point

243.1 °C at 760 mmHg

Molecular Weight

251.16

Flash Point

112.1 °C

Transport Information


Appearance


Safety

26-36

Risk Codes

36/37/38

Molecular Structure

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Hazard Symbols

3(001).jpgXi

Synonyms

Ethyl2-bromooctanoate;Ethyl a-bromocaprylate;NSC 21989;a-Bromocaprylic acid ethyl ester;




Ethyl 2-bromooctanoate Specification

The cas register number of Ethyl 2-bromooctanoate is 5445-29-4. It also can be called as Octanoic acid,2-bromo-, ethyl ester and the IUPAC Name about this chemical is ethyl 2-bromooctanoate.

Physical properties about Ethyl 2-bromooctanoate are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)ACD/BCF (pH 5.5): 1241.76; (5)ACD/BCF (pH 7.4): 1241.76; (6)ACD/KOC (pH 5.5): 5705.72; (7)ACD/KOC (pH 7.4): 5705.72; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 57.84 cm3; (13)Molar Volume: 210.6 cm3; (14)Polarizability: 22.93x10-24cm3; (15)Surface Tension: 32.8 dyne/cm; (16)Enthalpy of Vaporization: 48.01 kJ/mol; (17)Vapour Pressure: 0.0327 mmHg at 25°C.

Preparation: this chemical can be prepared by ethanol and 1-chloro-1-(phenylthio)-1-octene. This reaction will need reagent bromine. The reaction time is 2 hour(s) with reaction temperature of -45 °C. The yield is about 48%.

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Uses of Ethyl 2-bromooctanoate: it can be used to produce Ethyl-b-carethoxy-a-hexyl-levulinat with acetoacetic acid ethyl ester. It will need reagent Na and solvent ethanol.

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When you are using this chemical, please be cautious about it as the following:

This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:

(1)SMILES: BrC(C(=O)OCC)CCCCCC

(2)InChI: InChI=1/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3 

(3)InChIKey: JIQJOKSCSVMZAN-UHFFFAOYAK

(4)Std. InChI: InChI=1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3

(5)Std. InChIKey: JIQJOKSCSVMZAN-UHFFFAOYSA-N


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