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| CAS No.: | 883-99-8 |
|---|---|
| Name: | Methyl 3-hydroxy-2-naphthoate |
| Molecular Structure: | |
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| Formula: | C12H10O3 |
| Molecular Weight: | 202.21 |
| Synonyms: | 2-Hydroxy-3-naphthoic acid methyl ester;2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester;2-Naphthoic acid, 3-hydroxy-, methyl ester;2-Naphthoic acid, 3-hydroxy-, methyl ester (8CI);Methyl 3-hydroxy-2-naphthalenecarboxylate;Methyl 2-hydroxy-3-naphthoate;methyl 3-hydroxynaphthalene-2-carboxylate; |
| EINECS: | 212-936-9 |
| Density: | 1.264g/cm3 |
| Melting Point: | 73-75 oC |
| Boiling Point: | 330.5°Cat760mmHg |
| Flash Point: | 142.5°C |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | S26;S36 |
| PSA: | 46.53000 |
| LogP: | 2.33200 |
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Specification
The Methyl 3-hydroxy-2-naphthoate with cas registry number of 883-99-8, belongs to the following product categories: (1)Color Former & Related Compounds; (2)Functional Materials; (3)Sensitizer; (4)C12 to C63; (5)Carbonyl Compounds; (6)Esters. And its systematic name is methyl 3-hydroxynaphthalene-2-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 253.14; (6)ACD/BCF (pH 7.4): 250.4; (7)ACD/KOC (pH 5.5): 1827.73; (8)ACD/KOC (pH 7.4): 1807.99; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 57.75 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 22.89×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Enthalpy of Vaporization: 59.59 kJ/mol; (19)Vapour Pressure: 8.59E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-hydroxy-naphthalene-2-carboxylic acid and methanol. This reaction will need reagent HCl .
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Uses of p-Chloropropiophenone: it can be used to produce (3-Hydroxy-[2]naphthyl)-methanol. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran. The reaction time is 12 hour(s) with reaction temperature of 20 ℃. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
The Methyl 3-hydroxy-2-naphthoate 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:O=C(OC)c2cc1c(cccc1)cc2O;
(2)InChI:InChI=1/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3;
(3)InChIKey:YVVBECLPRBAATK-UHFFFAOYAT;
(4)Std. InChI:InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3;
(5)Std. InChIKey:YVVBECLPRBAATK-UHFFFAOYSA-N