Dodecanoic acid,12-bromo- (73367-80-3)

The 12-Bromododecanoic acid is an organic compound with the formula C₁₂H₂₃BrO₂. The IUPAC name of this chemical is 12-bromododecanoic acid. With the CAS registry number 73367-80-3, it is also named as Dodecanoic acid, 12-bromo-. The product's category is Organic Acids. When you are using it, avoid contact with skin and eyes and do not breathe dust.

Physical properties about 12-Bromododecanoic acid are: (1)ACD/LogP: 4.89; (2)ACD/LogD (pH 5.5): 4.09; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 489.31; (5)ACD/BCF (pH 7.4): 7.85; (6)ACD/KOC (pH 5.5): 1739.73; (7)ACD/KOC (pH 7.4): 27.91; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 66.93 cm³; (14)Molar Volume: 234.4 cm³; (15)Polarizability: 26.53×10^-24cm³; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.191 g/cm³; (18)Flash Point: 176.2 °C; (19)Enthalpy of Vaporization: 67.47 kJ/mol; (20)Boiling Point: 367.8 °C at 760 mmHg; (21)Vapour Pressure: 2.05E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 12-hydroxy-dodecanoic acid. This reaction will need reagent 48percent HBr, H2SO4. The yield is about 88%.

Uses of 12-Bromododecanoic acid: it can be used to produce 12-bromo-dodecanoic acid methyl ester by heating. It will need reagent H2SO4 with reaction time of 24 hours. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
(3)InChIKey: YYKBWYBUCFHYPR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
(5)Std. InChIKey: YYKBWYBUCFHYPR-UHFFFAOYSA-N