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| CAS No.: | 90-12-0 |
|---|---|
| Name: | 1 -Methylnaphthalene |
| Article Data: | 339 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C11H10 |
| Molecular Weight: | 142.2 |
| Synonyms: | 1-Methylnaphthalene;Naphthalene, alpha-methyl-;Methynaph H;NSC 3574;a-Methylnaphthalene;alpha-Methylnaphthalene;AI3-15378;CCRIS 6151; |
| EINECS: | 201-966-8 |
| Density: | 1.016 g/cm3 |
| Melting Point: | -22 °C |
| Boiling Point: | 242.8 °C at 760 mmHg |
| Flash Point: | 82.2 °C |
| Solubility: | Water: 0.026 g/L (25 °C) |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 Xn, N, T
|
| Risk Codes: | 22-36/37/38-42/43-51/53-39/23/24/25-23/24/25-20/21/22 |
| Safety: | 7-26-36/37/39-61-45-36/37-23-36 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 3.14820 |
| Conditions | Yield |
|---|---|
| In benzene at 10℃; for 24h; | 100% |
| Conditions | Yield |
|---|---|
| (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane for 2h; Heating; | 100% |
| Stage #1: 1-Bromonaphthalene; dimethyl zinc(II) With n-butyllithium In tetrahydrofuran; diethyl ether; hexane at 0℃; for 0.5h; Substitution; Stage #2: With oxovanadium(V) ethoxydichloride In tetrahydrofuran; diethyl ether; hexane at 20℃; for 3h; Oxidation; Alkylation; Further stages.; | 73% |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine)palladium dichloride In benzene at 80℃; for 15h; | 99% |
| Conditions | Yield |
|---|---|
| With potassium formate; PdCl22 In benzene at 60℃; for 4h; | 98% |
| With potassium formate; PdCl22 In benzene at 60℃; for 4h; Product distribution; further catalyst, reagent; solid or aqueous solution of reagent; | 98% |
| With sodium tetrahydroborate; water In methanol at 20℃; for 0.333333h; | 94% |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine)palladium dichloride In benzene at 80℃; for 12h; | 98% |
| Conditions | Yield |
|---|---|
| With triphenylphosphine; {MoPdcp[μ-(CO)2][μ3-(CO)](PPh3)}2 In benzene at 78℃; for 2h; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-Iodonaphthalene With [K{(Me)Ni[N(SiMe3)2,6-diisopropylphenyl]2}] In tetrahydrofuran at -35℃; for 0.333333h; Inert atmosphere; Stage #2: methylmagnesium bromide In tetrahydrofuran at 20℃; for 1.5h; Reagent/catalyst; Inert atmosphere; | 98% |
- 1351445-39-0
N,N,N-trimethyl-1-naphthalenaminium trifluoromethanesulfonate
- 75-24-1
trimethylaluminum
- 90-12-0
1-Methylnaphthalene
| Conditions | Yield |
|---|---|
| With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In 1,4-dioxane at 110℃; for 24h; Reagent/catalyst; Solvent; Temperature; Time; Schlenk technique; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With nickel In ethanol for 4h; Heating; | 95% |
| With nickel In ethanol for 4h; Heating; | 95% |
- 118226-43-0
N,N-dimethyl-N-(1,4-dihydronaphthyl-1-methyl)amine oxide
A
- 40476-27-5
1-methylene-1,4-dihydronaphthalene (benzo-p-isotoluene)
B
- 90-12-0
1-Methylnaphthalene
| Conditions | Yield |
|---|---|
| at 85 - 105℃; under 0.5 Torr; | A 95% B 5% |
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- 865-33-8Potassium methylate
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- 107-15-31,2-Ethanediamine
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- 141-53-7Sodium formate
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- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Specification
The 1-Methylnaphthalene with CAS registry number of 90-12-0 is also known as Naphthalene, alpha-methyl-. The IUPAC name and product name are the same. It belongs to product categories of Alpha Sort; Chemical Class; Hydrocarbons; M; MAlphabetic; Meta-methAnalytical Standards; NaphthalenesChemical Class; Neats; Volatiles/ Semivolatiles; Arenes; Building Blocks; Organic Building Blocks; Alphabetical Listings; Flavors and Fragrances; M-N; Naphthalenes. Its EINECS registry number is 201-966-8. In addition, the formula is C11H10 and the molecular weight is 142.20. This chemical is a colorless liquid and should be stored in ventilated and dry room below 30 °C.1-Methylnaphthalene is sensitive to heat. Reacts with strong oxidizing agents. Incompatible with oxygen and peroxides .
Physical properties about 1-Methylnaphthalene are:
(1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 3.91; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 550.66; (5)ACD/BCF (pH 7.4): 550.66; (6)ACD/KOC (pH 5.5): 3188.07; (7)ACD/KOC (pH 7.4): 3188.07; (8)Index of Refraction: 1.616; (9)Molar Refractivity: 48.92 cm3; (10)Molar Volume: 139.8 cm3; (11)Surface Tension: 38.7 dyne/cm; (12)Density: 1.016 g/cm3; (13)Flash Point: 82.2 °C; (14)Enthalpy of Vaporization: 46.03 kJ/mol; (15)Boiling Point: 242.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0518 mmHg at 25 °C.
Preparation of 1-Methylnaphthalene:
It is exist in high temperature tar about 0.8%-1.2%. Phenol and pyridine base are removed from the fraction of 230-300 °C. Then the fraction is distillated to collect fraction at 240-245 °C. At last, the fraction is cooled to obtain the product.
Uses of 1-Methylnaphthalene:
It is used as raw material of surfactant, water reducer, dispersant, drugs and other organic synthesis. It is used to produce 1-methylnaphthalene-d10. The reaction occurs with reagents deuterium oxide, sodium deuteroxide and other condition of supercritical pressure at 420-430 °C for 24 hours. The yield is about 75%.
Safety information of 1-Methylnaphthalene:
When you are using 1-Methylnaphthalene, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. What's more, may cause sensitisation by inhalation and skin contact. It also is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep container tightly closed and avoid release to the environment. Do not breathe gas/fumes/vapour/spray. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC=CC2=CC=CC=C12
2. InChI: InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
3. InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N
The toxicity data of 1-Methylnaphthalene is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LDLo | skin | 7500mg/kg (7500mg/kg) | National Technical Information Service. Vol. OTS0556357, | |
| rat | LD50 | oral | 1840mg/kg (1840mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 85, 1982. |