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2,3-Naphthalenedimethanol

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Name

2,3-Naphthalenedimethanol

EINECS N/A
CAS No. 31554-15-1 Density 1.244g/cm3
PSA 40.46000 LogP 1.82440
Solubility N/A Melting Point 157 °C
Formula C12H12O2 Boiling Point 400.9 °C at 760 mmHg
Molecular Weight 188.226 Flash Point 201.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 31554-15-1 (2,3-BIS(HYDROXYMETHYL)NAPHTHALENE) Hazard Symbols N/A
Synonyms

2,3-Bishydroxymethylnaphthalene;

Article Data 29

2,3-Naphthalenedimethanol Specification

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

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