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CAS No.: | 6287-90-7 |
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Name: | METHYL 11-BROMOUNDECANOATE |
Article Data: | 48 |
Molecular Structure: | |
Formula: | C12H23BrO2 |
Molecular Weight: | 279.217 |
Synonyms: | 11-Bromoundecanoic acid methyl ester; |
Density: | 1.147 g/cm3 |
Melting Point: | 17℃ |
Boiling Point: | 305.8 °C at 760 mmHg |
Flash Point: | 160.3 °C |
PSA: | 26.30000 |
LogP: | 4.06520 |
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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 %.
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 %.
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