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| CAS No.: | 15727-65-8 |
|---|---|
| Name: | 1-ETHYNYLNAPHTHALENE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C12H8 |
| Molecular Weight: | 152.196 |
| Synonyms: | 1-Ethynylnaphthalene;1-Naphthylacetylene;1-Naphthylethyne; |
| EINECS: | 200-258-5 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 1°C |
| Boiling Point: | 270.4 °C at 760 mmHg |
| Flash Point: | 106.3 °C |
| Appearance: | Yellow to Brown Liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 1993 3 |
| PSA: | 0.00000 |
| LogP: | 2.82110 |
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Specification
The Naphthalene, 1-ethynyl-, with the CAS registry number 15727-65-8, is also known as 1-Naphthylethyne. It belongs to the product categories of Alkynes; Organic Building Blocks; Terminal. This chemical's molecular formula is C12H8 and molecular weight is 152.19. What's more, its systematic name is called 1-Ethynylnaphthalene. When you are dealing with this chemical, you should be very careful. This chemical is flammable. Therefore, you should keep away from sources of ignition. It should be kept in a cold and airtight place.
Physical properties about Naphthalene, 1-ethynyl- are: (1) ACD/LogP: 3.63; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.63; (4) ACD/LogD (pH 7.4): 3.63; (5) ACD/BCF (pH 5.5): 338.32; (6) ACD/BCF (pH 7.4): 338.32; (7) ACD/KOC (pH 5.5): 2249.57; (8) ACD/KOC (pH 7.4): 2249.57; (9) #H bond acceptors: 0; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å2 ; (13) Index of Refraction: 1.643; (14) Molar Refractivity: 51.37 cm3; (15) Molar Volume: 141.9 cm3; (16) Surface Tension: 45.2 dyne/cm; (17) Density: 1.07 g/cm3; (18) Flash Point: 106.3 °C; (19) Enthalpy of Vaporization: 48.81 kJ/mol; (20) Boiling Point: 270.4 °C at 760 mmHg; (21) Vapour Pressure: 0.0114 mmHg at 25 °C.
Preparation of Naphthalene, 1-ethynyl-: this chemical can be prepared by 1-(α-Naphthyl)-3-methyl-1-butin-3-ol. This reaction needs reagent NaOH, solvent Toluene and other condition of heating.
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Uses of Naphthalene, 1-ethynyl-: it is used to produce other chemicals. For example, it is used to produce 2-(1-Naphthyl)-1,4-dihydro-4-oxoquinoline. The reaction occurs with reagent Et2NH and catalyzer PdCl2(1,1'-bis(Diphenylphosphino)ferrocene) at temperature of 120 °C for 1 hour. The yield is 55 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: C#Cc2cccc1ccccc12
(2) InChI: InChI=1/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H
(3) InChIKey: MCZUXEWWARACSP-UHFFFAOYAH