-
Name
Florantyrone
- EINECS 208-279-2
- CAS No. 519-95-9
- Density 1.367g/cm3
- Solubility
- Melting Point 184-187 °C(lit.)
- Formula C20H14O3
- Boiling Point 574.2 °C at 760 mmHg
- Molecular Weight 302.329
- Flash Point 315.1 °C
- Transport Information
- Appearance
- Safety 28-45
- Risk Codes 25
-
Molecular Structure
-
Hazard Symbols
T
- Synonyms 8-Fluoranthenebutyricacid, g-oxo- (6CI,7CI,8CI);Anchol;Bilyn;Cistoplex;Florantyron;Florantyrone;Fluochol;Fluorantyrone;Gamma-Fluoranthen-8-yl-gamma-oxybutyric acid;Idrobil;Idroepar;Kanchol;SC1674;Zanchol;b-(8-Fluoranthoyl)propionicacid;b-(8-Fluoranthyloyl)propionicacid;g-Oxo-8-fluoranthenebutanoic acid;g-Oxo-8-fluoranthenebutyric acid;
- PSA 54.37000
- LogP 4.53470
Florantyrone Specification
The Florantyrone, with CAS registry number 519-95-9, has the systematic name of 4-(fluoranthen-8-yl)-4-oxobutanoic acid. And its IUPAC name is the same one. Besides this, it is also called g-Oxo-8-fluoranthenebutanoic Acid. What's more, its EINECS is 208-279-2.
Physical properties of Florantyrone: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.786; (8)Molar Refractivity: 93.32 cm3; (9)Molar Volume: 221.1 cm3; (10)Polarizability: 36.99×10-24cm3; (11)Surface Tension: 68.5 dyne/cm; (12)Enthalpy of Vaporization: 90.5 kJ/mol; (13)Vapour Pressure: 5.04E-14 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Florantyrone is toxic if swallowed. After contact with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)c3ccc2c1cccc4c1c(c2c3)ccc4
(2)InChI: InChI=1/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)
(3)InChIKey: QOBAOSCOLAGPKI-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)
(5)Std. InChIKey: QOBAOSCOLAGPKI-UHFFFAOYSA-N
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