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| CAS No.: | 17135-78-3 |
|---|---|
| Name: | 2-Chloroanthracene |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C14H9Cl |
| Molecular Weight: | 212.678 |
| Synonyms: | 2-Chloroanthracene;NSC 408454; |
| Density: | 1.253 g/cm3 |
| Melting Point: | 221-223 °C |
| Boiling Point: | 370.1 °C at 760 mmHg |
| Flash Point: | 179.2 °C |
| Solubility: | insoluble in water |
| Appearance: | beige to brown-beige powder or flakes |
| PSA: | 0.00000 |
| LogP: | 4.64640 |
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Specification
The 2-Chloroanthracene with the cas number 17135-78-3 is also called Anthracene, 2-chloro-. Its molecular formula is C14H9Cl. This chemical belongs to the following product categories: (1)Electronic Chemicals; (2)Anthracenes; (3)Aryl; (4)C13 to C37+; (5)Halogenated Hydrocarbons.
The properties of the chemical are: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 6009.08; (6)ACD/BCF (pH 7.4): 6009.08; (7)ACD/KOC (pH 5.5): 17638.55; (8)ACD/KOC (pH 7.4): 17638.55; (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: 1.717; (14)Molar Refractivity: 66.83 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 26.49×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Enthalpy of Vaporization: 59.27 kJ/mol; (19)Vapour Pressure: 2.42×10-5 mmHg at 25°C.
Preparation: This chemical can be prepared by 2-chloro-anthraquinone. This reaction needs reagent aluminium tris(cyclohexyl oxide) and solvent various solvent(s). The yield is 65%.
Uses: This chemical can react with [1,3]dioxol-2-one to product C17H11ClO3. This reaction needs heating condition. The reaction time is 8.0 hours. The yield is 83%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc2cc1ccccc1cc2c3
(2)InChI: InChI=1/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
(3)InChIKey: OWFINXQLBMJDJQ-UHFFFAOYAX