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Basic Information
CAS No.: 16631-25-7
Name: Methyl 2-bromotetradecanoate
Molecular Structure:
Molecular Structure of 16631-25-7 (Methyl 2-bromotetradecanoate)
Formula: C15H29BrO2
Molecular Weight: 321.298
Synonyms: Methyl2-bromo-1-tetradecanoate;
EINECS: 240-687-6
Density: 1.095 g/cm3
Melting Point: < 10oC
Boiling Point: 314.4 °C at 760 mmHg
Flash Point: 159.8 °C
Appearance: Yellow oil
Hazard Symbols: Xi
PSA: 26.30000
LogP: 5.23390
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Chemistry

Molecular Structure of Methyl 2-bromotetradecanoate (16631-25-7):

EINECS: 240-687-6
IUPAC Name: Methyl 2-bromotetradecanoate
Molecular Formula: C15H29BrO2
Molecular Weight: 321.293560 g/mol
XLogP3-AA: 7.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CCCCCCCCCCCCC(C(=O)OC)Br
InChI: InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3
InChIKey: NTDPLPAGWMERRU-UHFFFAOYSA-N
Index of Refraction: 1.464
Molar Refractivity: 81 cm3
Molar Volume: 293.1 cm3
Surface Tension: 33 dyne/cm
Density: 1.095 g/cm3
Flash Point: 159.8 °C
Boiling Point: 314.4 °C at 760 mmHg
Enthalpy of Vaporization: 55.55 kJ/mol
Vapour Pressure: 0.000468 mmHg at 25 °C
Water Solubility: 0.02409 mg/L at 25 °C

Specification

  Methyl 2-bromotetradecanoate (16631-25-7) is also called  Methyl 2-bromomyristate ; Tetradecanoic acid, 2-bromo-, methyl ester ; 2-Bromotetradecanoic acid methyl ester ; Myristate with appearance of light brown liquid. Methyl 2-bromotetradecanoate (16631-25-7) is often used in organic synthesis.