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| CAS No.: | 16712-64-4 |
|---|---|
| Name: | 6-Hydroxy-2-naphthoic acid |
| Molecular Structure: | |
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| Formula: | C11H8 O3 |
| Molecular Weight: | 188.183 |
| Synonyms: | 2-Naphthoicacid, 6-hydroxy- (7CI,8CI);2-Hydroxy-6-naphthoic acid;2-Hydroxynaphthalene-6-carboxylic acid;6-Carboxy-2-naphthol;6-Hydroxy-2-naphthalenecarboxylic acid;6-Hydroxy-b-naphthoic acid;6-Hydroxynaphthylene-2-carboxylic acid;NSC 689433; |
| EINECS: | 240-759-7 |
| Density: | 1.399 g/cm3 |
| Melting Point: | 240-250 °C(lit.) |
| Boiling Point: | 407 °C at 760 mmHg |
| Flash Point: | 214.1 °C |
| Solubility: | 99mg/L at 20℃ |
| Appearance: | pale brown powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 57.53000 |
| LogP: | 2.24360 |
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Specification
The 2-Naphthalenecarboxylicacid, 6-hydroxy-, with the cas registry number 16712-64-4, has the systematic name of 6-hydroxynaphthalene-2-carboxylic acid. This is a kind of pale brown powder, and its product categories are including Intermediates of Dyes and Pigments; Naphthalene derivatives; Carboxylic; Bifunctional Compounds (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Chalcones, etc. (Building Blocks for Liquid Crystals); Functional Materials; C11 to C12; Carbonyl Compounds; Carboxylic Acids. Besides, it is usually used in pharmaceutic, painting and so on.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): -0.45; (4)ACD/BCF (pH 5.5): 2.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.99; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53; (12)Index of Refraction: 1.716; (13)Molar Refractivity: 52.9 cm3; (14)Molar Volume: 134.5 cm3; (15)Polarizability: 20.97 ×10-24 cm3; (16)Surface Tension: 69.4 dyne/cm; (17)Density: 1.399 g/cm3; (18)Flash Point: 214.1 °C; (19)Enthalpy of Vaporization: 69.47 kJ/mol; (20)Boiling Point: 407 °C at 760 mmHg; (21)Vapour Pressure: 2.35E-07 mmHg at 25°C; (22)Exact Mass: 188.047344; (23)MonoIsotopic Mass: 188.047344; (24)Topological Polar Surface Area: 57.5; (25)Heavy Atom Count: 14; (26)Formal Charge: 0; (27)Complexity: 227.
Production method of 2-Naphthalenecarboxylicacid, 6-hydroxy- is as below: 6-bromo-naphthalen-2-ol could react with carbon monoxide to produce 2-Naphthalenecarboxylicacid, 6-hydroxy-, with the following condition: reagent: NaOH; catalytic agent: C2H5OOCCH2Co(CO)4; solvent: methanol; reaction time: 25 - 35 ℃; yield: 48%.
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Use of 2-Naphthalenecarboxylicacid, 6-hydroxy-: acetic acid anhydride could react with 2-Naphthalenecarboxylicacid, 6-hydroxy- to produce 6-acetoxy-[2]naphthoic acid, with the following condition: reagent: pyridine; reaction time: 2.5 hours; yield: 93%; other condition: ambient temperature.
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When deal with this chemical, you should be very cautious. Being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:O=C(O)c1ccc2c(c1)ccc(O)c2
(2)InChI:InChI=1/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 3080mg/kg (3080mg/kg) | PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0534748, |