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| CAS No.: | 86-55-5 |
|---|---|
| Name: | 1-Naphthoic acid |
| Article Data: | 335 |
| Molecular Structure: | |
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| Formula: | C11H8O2 |
| Molecular Weight: | 172.183 |
| Synonyms: | 1-Carboxynaphthalene;alpha-Naphthoic acid;naphthalene-1-carboxylate;alpha-Naphthylcarboxylic acid;1-Naphthoicacid;naphthalene-1-carboxylic acid;Naphthalene-alpha-carboxylic acid;1-naphthalenecarboxylic acid;.alpha.-Naphthoic acid; |
| EINECS: | 201-681-9 |
| Density: | 1.265 g/cm3 |
| Melting Point: | 157-160 °C(lit.) |
| Boiling Point: | 300 °C at 760 mmHg |
| Flash Point: | 164.6 °C |
| Solubility: | Freely soluble in hot alcohol and ether. Slightly soluble in hot water. |
| Appearance: | off-white to beige powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25-37 |
| PSA: | 37.30000 |
| LogP: | 2.53800 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
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- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
| Conditions | Yield |
|---|---|
| Stage #1: 1,8-Naphthalic anhydride With sodium hydroxide In water at 100℃; for 0.0166667h; microwave irradiation; Stage #2: With mercury(II) diacetate In water at 200℃; for 0.25h; Pesci reaction; microwave irradiation; Stage #3: With hydrogenchloride In water at 120℃; for 0.25h; microwave irradiation; | 100% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; cobalt(II) acetate In ethanol at 65℃; under 1520 Torr; for 4h; Irradiation; | 99.3% |
| With sodium hydroxide; tetrabutylammomium bromide; dicobalt octacarbonyl In water; benzene at 65℃; under 760 Torr; for 5h; Irradiation; | 96% |
| With tetrabutylammomium bromide; dicobalt octacarbonyl In sodium hydroxide; benzene at 65℃; for 4.5h; Irradiation; | 95% |
| With tributyl-amine; water; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride at 110 - 130℃; under 3 Torr; for 24h; | 48% |
| With water; sodium acetate; triethylamine; Pd-bis(1-methylbenzothiazole-2-carbene) In N,N-dimethyl acetamide at 130℃; for 7h; | 55 % Chromat. |
| Conditions | Yield |
|---|---|
| With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene In water at 50℃; under 760.051 Torr; for 12h; Sealed tube; | 99% |
| With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry; | 99% |
| With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In acetonitrile at 20℃; | 98% |
- 86-55-5
1-naphthalenecarboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: (1-nosyl-5-nitroindol-3-yl)methyl 1-naphthoate With 2-(N,N-dimethylamino)ethylthiol hydrochloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 0.25h; Inert atmosphere; Stage #2: With hydrogenchloride In diethyl ether; water; acetonitrile Inert atmosphere; | 99% |
- 53422-19-8
benzyl 1-naphthoate
- 108-88-3
toluene
A
- 86-55-5
1-naphthalenecarboxylic acid
B
- 620-47-3
1-methyl-3-(phenylmethyl)-benzene
C
- 620-83-7
1-methyl-4-(phenylmethyl)benzene
D
- 713-36-0
2-benzyltoluene
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction; | A 99% B n/a C n/a D n/a |
| Conditions | Yield |
|---|---|
| Stage #1: 1-Bromonaphthalene With iodine; magnesium In tetrahydrofuran at 60℃; for 17.25h; Inert atmosphere; Stage #2: sodium methyl carbonate In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-Fluoronaphthalene With C78H70Al2Cl4N6P4Rh2; magnesium; ethylene dibromide In tetrahydrofuran at 20℃; for 22h; Inert atmosphere; Glovebox; Stage #2: carbon dioxide In tetrahydrofuran at 20℃; under 760.051 Torr; for 0.5h; Reagent/catalyst; Temperature; | 99% |
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; oxygen In acetonitrile at 20℃; for 10h; Irradiation; | 97% |
| With periodic acid; pyridinium chlorochromate In acetonitrile | 96% |
| With tert.-butylhydroperoxide; manganese(II) acetate; trifluoroacetic acid In acetonitrile at 80℃; under 15001.5 Torr; for 13h; Mechanism; chemoselective reaction; | 95% |
- 15226-74-1, 61091-28-9, 61117-58-6
dicobalt octacarbonyl
- 99747-74-7
1-naphthyl triflate
- 86-55-5
1-naphthalenecarboxylic acid
| Conditions | Yield |
|---|---|
| With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane; water at 20℃; for 16h; Schlenk technique; Inert atmosphere; chemoselective reaction; | 97% |
| Conditions | Yield |
|---|---|
| With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 100℃; for 20h; Inert atmosphere; Sealed tube; | 97% |
| With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 80℃; for 10h; Inert atmosphere; Sealed tube; | 75% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
1-Naphthoic acid, with the CAS NO.86-55-5, is also named as 1-Naphthalenecarboxylic acid, 1-Carboxynaphthalene, alpha-Naphthoic acid, naphthalene-1-carboxylic acid, NAPHTHOIC ACID. It belongs to the ProductCategories of Aromatic Compounds; Naphthalene derivatives; Organic acids. 1-Naphthoic acid can be used in organic synthesis.
Physical properties about 1-Naphthoic acid are: (1)ACD/LogP: 3.13±0.21; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 0.05; (4)ACD/BCF (pH 5.5): 1.45; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 12.40; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.673; (12)Molar Refractivity: 51.0±0.3 cm3; (13)Molar Volume: 136.1±3.0 cm3; (14)Polarizability: 20.2±0.5 10-24cm3; (15)Surface Tension: 56.6±3.0 dyne/cm; (16)Density: 1.3±0.1 g/cm3; (17)Flash Point: 164.6±13.9 °C; (18)Enthalpy of Vaporization: 57.0±3.0 kJ/mol; (19)Boiling Point: 299.999 °C at 760 mmHg; (20)Vapour Pressure: 0.0±0.6 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Avoid contact with skin and eyes;
4. Wear suitable gloves;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13);
(2)InChIKey=LNETULKMXZVUST-UHFFFAOYSA-N;
(3)Smilesc12c(cccc1C(O)=O)cccc2;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2370mg/kg (2370mg/kg) | National Technical Information Service. Vol. PB85-143766, |