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CAS No.: | 31554-15-1 |
---|---|
Name: | 2,3-BIS(HYDROXYMETHYL)NAPHTHALENE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C12H12O2 |
Molecular Weight: | 188.226 |
Synonyms: | 2,3-Bishydroxymethylnaphthalene; |
Density: | 1.244g/cm3 |
Melting Point: | 157 °C |
Boiling Point: | 400.9 °C at 760 mmHg |
Flash Point: | 201.5 °C |
PSA: | 40.46000 |
LogP: | 1.82440 |
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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