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CAS No.: | 55579-72-1 |
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Name: | 5-(4-FLUOROPHENYL)CYCLOHEXANE-1,3-DIONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H11FO2 |
Molecular Weight: | 206.217 |
Synonyms: | 5-(4-Fluorophenyl)cyclohexane-1,3-dione; |
Density: | 1.228 g/cm3 |
Melting Point: | 186-189 °C(lit.) |
Boiling Point: | 353.8 °C at 760 mmHg |
Flash Point: | 135.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 34.14000 |
LogP: | 2.23140 |
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The 5-(4-Fluorophenyl)cyclohexane-1,3-dione, with the CAS registry number 55579-72-1, is also known as . It belongs to the product categories of Miscellaneous; C11 to C12; Carbonyl Compounds; Ketones. Its EINECS registry number is . This chemical's molecular formula is C12H11FO2 and molecular weight is 206.21. Its systematic name is called 5-(4-fluorophenyl)cyclohexane-1,3-dione.
Physical properties of 5-(4-Fluorophenyl)cyclohexane-1,3-dione: (1)ACD/LogP: 1.03; (2)#H bond acceptors: 2; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.536; (6)Molar Refractivity: 52.36 cm3; (7)Molar Volume: 167.8 cm3; (8)Surface Tension: 43.1 dyne/cm; (9)Density: 1.228 g/cm3; (10)Flash Point: 135.4 °C; (11)Enthalpy of Vaporization: 59.87 kJ/mol; (12)Boiling Point: 353.8 °C at 760 mmHg; (13)Vapour Pressure: 3.51E-05 mmHg at 25°C.
Uses of 5-(4-Fluorophenyl)cyclohexane-1,3-dione: it can be used to produce 7-chloro-3-(4-fluoro-phenyl)-10-hydroxy-3,4-dihydro-2H,10H-acridine-1,9-dione at temperature of 80 °C. This reaction will need reagent conc. HCl and solvent acetic acid. The yield is about 67%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C2CC(=O)CC(=O)C2
(2)InChI: InChI=1/C12H11FO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
(3)InChIKey: LBTLJACXBCUFEF-UHFFFAOYAQ