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Undecanoic acid,11-bromo-, methyl ester

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Name

Undecanoic acid,11-bromo-, methyl ester

EINECS N/A
CAS No. 6287-90-7 Density 1.147 g/cm3
PSA 26.30000 LogP 4.06520
Solubility N/A Melting Point 17℃
Formula C12H23BrO2 Boiling Point 305.8 °C at 760 mmHg
Molecular Weight 279.217 Flash Point 160.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6287-90-7 (METHYL 11-BROMOUNDECANOATE) Hazard Symbols N/A
Synonyms

11-Bromoundecanoic acid methyl ester;

Article Data 48

Undecanoic acid,11-bromo-, methyl ester Specification

The Undecanoic acid,11-bromo-, methyl ester, with the CAS registry number of 6287-90-7, is also known as 11-Bromoundecanoic acid methyl ester. It belongs to the product categories of C12 to C63; Carbonyl Compounds; Esters. Its molecular formula is C12H23BrO2 and molecular weight is 279.21. What's more, its IUPAC name is Methyl 11-bromoundecanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Undecanoic acid,11-bromo-, methyl ester are: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 67.14 cm3; (9)Molar Volume: 243.2 cm3; (10)Surface Tension: 33.7 dyne/cm; (11)Density: 1.147 g/cm3; (12)Flash Point: 160.3 °C; (13)Enthalpy of Vaporization: 54.62 kJ/mol; (14)Boiling Point: 305.8 °C at 760 mmHg; (15)Vapour Pressure: 0.000805 mmHg at 25 °C.

Preparation: this chemical can be obtained by Methanol and 11-Bromo-undecanoic acid. The reaction needs reagent p-TsOH and solvent CCl4. The yield is about 89 %.

The Undecanoic acid,11-bromo-, methyl ester can be obtained by Methanol and 11-Bromo-undecanoic acid

Uses: it is used to produce other chemicals. For example, it is used to produce 11-Bromo-undecan-1-ol. This reaction needs reagent Lithium aluminum hydride. Meanwhile, it needs solvent Diethyl ether. The reaction time is 40 min with reaction temperature of 0 °C. The yield is about 98 %.

The Undecanoic acid,11-bromo-, methyl ester is used to produce 11-Bromo-undecan-1-ol.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCCCCCC(=O)OC
(2) InChI: InChI=1/C12H23BrO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
(3) InChIKey: HFNPVFKUZYCDIB-UHFFFAOYAY

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