2,3-BIS(HYDROXYMETHYL)NAPHTHALENE

The 2,3-Naphthalenedimethanol, with CAS registry number 31554-15-1, has the systematic name of naphthalene-2,3-diyldimethanol. Besides this, it is also called 2,3-Bis(hydroxymethyl)naphthalene. And the chemical formula of this chemical is C₁₂H₁₂O₂.

Physical properties of 2,3-Naphthalenedimethanol: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.26; (6)ACD/BCF (pH 7.4): 5.26; (7)ACD/KOC (pH 5.5): 114.16; (8)ACD/KOC (pH 7.4): 114.16; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 56.99 cm³; (15)Molar Volume: 151.1 cm³; (16)Polarizability: 22.59×10^-24cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 201.5 °C; (20)Enthalpy of Vaporization: 68.74 kJ/mol; (21)Boiling Point: 400.9 °C at 760 mmHg; (22)Vapour Pressure: 3.8E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by naphthalene-2,3-dicarboxylic acid. This reaction will need reagent LiAlH₄ and solvents diethyl ether, tetrahydrofuran. The yield is about 73%.

Uses of 2,3-Naphthalenedimethanol: it can be used to produce naphthalene-2,3-dicarbaldehyde. This reaction will need reagent BaMnO₄ and solvent CH₂Cl₂. The reaction time is 12 hour(s). The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc2cc1c(cccc1)cc2CO
(2)InChI: InChI=1/C12H12O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2
(3)InChIKey: DTYJRRQQOLBRGH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H12O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2
(5)Std. InChIKey: DTYJRRQQOLBRGH-UHFFFAOYSA-N