4-BROMO-2,6-BIS-HYDROXYMETHYL-PHENOL

The 1,3-Benzenedimethanol,5-bromo-2-hydroxy- with CAS registry number of 6296-63-5 is also called 4-Bromo-2,6-bis(hydroxymethyl)phenol. Its molecular formula is C₈H₉BrO₃, and molecular weight is 233.0593. Its IUPAC name is 4-Bromo-2,6-bis(hydroxymethyl)phenol.

Physical properties about this chemical are: (1) ACD/LogP: 0.12; (2) #H bond acceptors: 3; (3) #H bond donors: 3; (4) #Freely Rotating Bonds: 5; (5) Polar Surface Area: 27.69 Ų; (6) Index of Refraction: 1.661; (7) Molar Refractivity: 48.72 cm³; (8) Molar Volume: 131.6 cm³; (9) Polarizability: 19.31×10^-24 cm³; (10) Surface Tension: 69.2 dyne/cm; (11) Density: 1.769 g/cm³; (12) Flash Point: 181.5 °C; (13) Enthalpy of Vaporization: 65.84 kJ/mol; (14) Boiling Point: 376.5 °C at 760 mmHg; (15) Vapour Pressure: 2.45E-06 mmHg at 25°C.

Preparation of 1,3-Benzenedimethanol,5-bromo-2-hydroxy-: this chemical is prepared by reaction of Formaldehyde with 4-Bromo-phenol.

This reaction needs reagent aq. KOH and solvent Propan-2-ol at temperature of 40 ℃. The reaction time is 89 hours. The yield is 63.4%.

Uses of 1,3-Benzenedimethanol,5-bromo-2-hydroxy-: it can react with 1-bromo-dodecane to give (5-bromo-2-dodecyloxy-3-hydroxymethyl-phenyl)-methanol.

 

The reaction occurs with reagent K₂CO₃, solvent Acetone and other condition of heating for 48 hours. The yield is 74.6%.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(O)c(c1)CO)CO;
(2) InChI: InChI=1/C8H9BrO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,10-12H,3-4H2;
(3) InChIKey: YODIAPFXESLZGY-UHFFFAOYAJ;
(4) Std. InChI: InChI=1S/C8H9BrO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,10-12H,3-4H2;
(5) Std. InChIKey: YODIAPFXESLZGY-UHFFFAOYSA-N