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| CAS No.: | 5960-69-0 |
|---|---|
| Name: | 2-ACETYLPHENANTHRENE |
| Molecular Structure: | |
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| Formula: | C16H12O |
| Molecular Weight: | 220.271 |
| Synonyms: | Ketone,methyl 2-phenanthryl (6CI,7CI,8CI);2-Acetylphenanthrene;Methyl 2-phenanthrylketone;NSC 402640; |
| EINECS: | 227-730-4 |
| Density: | 1.164 g/cm3 |
| Melting Point: | 144-145 °C(lit.) |
| Boiling Point: | 405.9 °C at 760 mmHg |
| Flash Point: | 180.7 °C |
| Appearance: | solid |
| PSA: | 17.07000 |
| LogP: | 4.19560 |
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Specification
This chemical is called 2-Acetylphenanthrene, and its IUPAC name is 1-phenanthren-2-ylethanone. With the molecular formula of C16H12O, its molecular weight is 220.27. The CAS registry number of this chemical is 5960-69-0, and its product categories are C15 to C38; Carbonyl Compounds; Ketones.
Other characteristics of the 2-Acetylphenanthrene can be summarised as followings: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 805.41; (6)ACD/BCF (pH 7.4): 805.41; (7)ACD/KOC (pH 5.5): 4185.3; (8)ACD/KOC (pH 7.4): 4185.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 71.96 cm3; (15)Molar Volume: 189.1 cm3; (16)Polarizability: 28.52×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.164 g/cm3; (19)Flash Point: 180.7 °C; (20)Enthalpy of Vaporization: 65.75 kJ/mol; (21)Boiling Point: 405.9 °C at 760 mmHg; (22)Vapour Pressure: 8.47E-07 mmHg at 25°C.
Uses of this chemical: The 2-ethyl-phenanthrene could be obtained by the reactant of 2-Acetylphenanthrene, the reagents of amalgamated zinc and concentrated aqueous HCl.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(c3cc2c(c1ccccc1cc2)cc3)C
2.InChI: InChI=1/C16H12O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3
3.InChIKey: CWILMKDSVMROHT-UHFFFAOYAP
4.Std. InChI: InChI=1S/C16H12O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3
5.Std. InChIKey: CWILMKDSVMROHT-UHFFFAOYSA-N