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5111-66-0

Basic Information
CAS No.: 5111-66-0
Name: 2-Naphthalenol,6-methoxy-
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 5111-66-0 (2-Naphthalenol,6-methoxy-)
Formula: C11H10O2
Molecular Weight: 174.199
Synonyms: 2-Naphthol,6-methoxy- (6CI,7CI,8CI);2-Hydroxy-6-methoxynaphthalene;2-Methoxy-6-naphthol;6-Methoxy-2-hydroxynaphthalene;6-Methoxy-2-naphthalenol;6-Methoxy-2-naphthol;6-Methoxy-b-naphthol;NSC 149908;
EINECS: 629-038-1
Density: 1.193 g/cm3
Melting Point: 148-152 °C
Boiling Point: 336.7 °C at 760 mmHg
Flash Point: 211.8 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
Transport Information: N/A
PSA: 29.46000
LogP: 2.55400
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Specification

The 6-Methoxy-2-naphthol, with CAS registry number 5111-66-0, belongs to the following product categories: (1)Aromatic Phenols; (2)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its systematic name and its IUPAC name are the same, which is 6-methoxynaphthalen-2-ol. And the chemical formula of this chemical is C11H10O2.

Physical properties of 6-Methoxy-2-naphthol: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.52; (6)ACD/BCF (pH 7.4): 58.27; (7)ACD/KOC (pH 5.5): 640.65; (8)ACD/KOC (pH 7.4): 637.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 52.65 cm3; (15)Molar Volume: 145.9 cm3; (16)Polarizability: 20.87×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Enthalpy of Vaporization: 60.28 kJ/mol; (19)Vapour Pressure: 5.65E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-Methoxy-[2]naphthol. This reaction will need reagents NaN(SiMe3)2, 1,3-dimethyl-2-imidazolidinone and solvent tetrahydrofuran. The reaction time is 12 hour(s) with reaction temperature of 185 ℃. The yield is about 96%.

Uses of 6-Methoxy-2-naphthol: it can be used to produce 1-chloro-6-methoxy-naphthalen-2-ol. This reaction will need reagent SO2Cl2 and solvent CHCl3. The reaction time is 15 hour(s). The yield is about 34%.

When you are using this chemical, please be cautious about it as the following:
The 6-Methoxy-2-naphthol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2c(c1)ccc(OC)c2
(2)InChI: InChI=1/C11H10O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3
(3)InChIKey: WWPKRXOOVICNJY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H10O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3
(5)Std. InChIKey: WWPKRXOOVICNJY-UHFFFAOYSA-N