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| CAS No.: | 84-85-5 |
|---|---|
| Name: | 4-METHOXY-1-NAPHTHOL |
| Molecular Structure: | |
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| Formula: | C11H10O2 |
| Molecular Weight: | 174.199 |
| Synonyms: | 1-Naphthol,4-methoxy- (7CI,8CI);1-Hydroxy-4-methoxynaphthalene;4-Methoxy-1-naphthalenol;4-Methoxy-1-naphthol;4-Methoxy-a-naphthol;C.I. 76620;ET 2111;Ursol Grounding Blue BL; |
| EINECS: | 201-566-3 |
| Density: | 1.193 g/cm3 |
| Melting Point: | 126-129 °C(lit.) |
| Boiling Point: | 350.1 °C at 760 mmHg |
| Flash Point: | 228.6 °C |
| Solubility: | Soluble in water. |
| Appearance: | grey to brown-purple crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 29.46000 |
| LogP: | 2.55400 |
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Specification
The 1-Naphthalenol,4-methoxy-, with the CAS registry number 84-85-5 and EINECS registry number 201-566-3, has the systematic name and IUPAC name of 4-methoxynaphthalen-1-ol. It is a kind of grey to brown-purple crystalline powder, and belongs to the following product categories: Industrial/Fine Chemicals; Naphthalene derivatives. And the molecular formula of the chemical is C11H10O2.
The characteristics of 1-Naphthalenol,4-methoxy- are as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.17; (6)ACD/BCF (pH 7.4): 50.09; (7)ACD/KOC (pH 5.5): 573.81; (8)ACD/KOC (pH 7.4): 572.99; (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)Density: 1.193 g/cm3; (19)Flash Point: 228.6 °C; (20)Enthalpy of Vaporization: 61.81 kJ/mol; (21)Boiling Point: 350.1 °C at 760 mmHg; (22)Vapour Pressure: 2.23E-05 mmHg at 25°C.
Uses of 1-Naphthalenol,4-methoxy-: It can react with 2,3-dihydro-furan to produce 4-methoxy-2-(tetrahydro-furan-2-yl)-naphthalen-1-ol. This reaction will need reagent BF3.OEt2, and menstruum acetic acid. The reaction time is 18 hours with ambient temperature, and the yield is about 44%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc2c1ccccc1c(OC)cc2
(2)InChI: InChI=1/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
(3)InChIKey: BOTGCZBEERTTDQ-UHFFFAOYAR