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| CAS No.: | 2444-68-0 | ||||
|---|---|---|---|---|---|
| Name: | 9-VINYLANTHRACENE | ||||
| Article Data: | 34 | ||||
| Molecular Structure: | |||||
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| Formula: | C16H12 | ||||
| Molecular Weight: | 204.271 | ||||
| Synonyms: | Anthracene,9-vinyl- (6CI,7CI,8CI);9-Ethenylanthracene;9-Vinylanthracene;NSC 91571; | ||||
| EINECS: | 219-486-2 | ||||
| Density: | 1.112g/cm3 | ||||
| Melting Point: |
62-65 °C(lit.) |
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| Boiling Point: |
61-66 °C10 mm Hg(lit.) |
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| Flash Point: | 172.4°C | ||||
| Appearance: | yellow to green crystalline solid | ||||
| Safety: |
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| PSA: | 0.00000 | ||||
| LogP: | 4.63600 | ||||
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Specification
The 9-Vinylanthracene, with the cas registry number 2444-68-0, has the systematic name of 9-ethenylanthracene. And its product categories are various, including Styrenes; Photoluminescent Materials; Fluorescent Monomers Polymer Science; Monomers; Photonic and Optical Materials; Styrene and Functionalized Styrene MonomersPolymer Science;Vinyl Halides, Amines, Amides, and Other Vinyl Monomers. It is a kind of yellow to green crystalline solid and the molecular formula of the chemical is C16H12.
The characteristics of this chemical are as followings: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.16; (4)ACD/LogD (pH 7.4): 5.16; (5)ACD/BCF (pH 5.5): 4925.28; (6)ACD/BCF (pH 7.4): 4925.28; (7)ACD/KOC (pH 5.5): 15298; (8)ACD/KOC (pH 7.4): 15298; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 72.86 cm3; (15)Molar Volume: 183.6 cm3; (16)Polarizability: 28.88×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 172.4 °C; (20)Enthalpy of Vaporization: 60.02 kJ/mol; (21)Boiling Point: 377 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-05 mmHg at 25°C.
You should be cautious while you are dealing with it: Do not breathe dust and avoid contact with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c23cc1ccccc1c(\C=C)c2cccc3
(2)InChI: InChI=1/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
(3)InChIKey: OGOYZCQQQFAGRI-UHFFFAOYAG