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| CAS No.: | 2489-86-3 |
|---|---|
| Name: | 1-Allylnaphthalene |
| Article Data: | 56 |
| Molecular Structure: | |
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| Formula: | C13H12 |
| Molecular Weight: | 168.238 |
| Synonyms: | Naphthalene,1-(2-propenyl)- (9CI);Naphthalene, 1-allyl- (7CI,8CI);3-(1-Naphthyl)-1-propene;a-Allylnaphthalene; |
| Density: | 1.001 g/cm3 |
| Boiling Point: | 266 °C at 760 mmHg |
| Flash Point: | 119.5 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.56830 |
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Specification
The 1-Allylnaphthalene is an organic compound with the formula C13H12. The IUPAC name ofthis chemical is 1-prop-2-enylnaphthalene. With the CAS registry number 2489-86-3, it is also named as Naphthalene, 1-allyl-. The product's categories are Aromatic Compounds; Monomer.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1461.14; (6)ACD/BCF (pH 7.4): 1461.14; (7)ACD/KOC (pH 5.5): 6410.38; (8)ACD/KOC (pH 7.4): 6410.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 58 cm3; (14)Molar Volume: 167.9 cm3; (15)Polarizability: 22.99×10-24 cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Enthalpy of Vaporization: 48.36 kJ/mol; (18)Vapour Pressure: 0.0146 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 168.0939; (21)MonoIsotopic Mass: 168.0939; (22)Heavy Atom Count: 13; (23)Complexity: 171.
Preparation of 1-Allylnaphthalene: It can be obtained by 3-bromo-propene and 1-bromo-naphthalene. This reaction needs reagent Mg and solvent tetrahydrofuran by heating. The reaction time is 5 hours. The yield is 75%.
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Uses of 1-Allylnaphthalene: It can react with [1]naphthyl-acηldehyde-oxime to get 3,5-bis-naphthalen-1-ylmethyl-4,5-dihydro-isoxazole. This reaction needs reagent 5percent NaOCl, Py and solvent CHCl3 at temperature of 0 °C. The reaction time is 1.5 hours. The yield is 84%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cccc2cccc(c12)C\C=C
2. InChI:InChI=1/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2
3. InChIKey:RJFCFNWLPJRCLR-UHFFFAOYAM