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| CAS No.: | 1693-28-3 |
|---|---|
| Name: | 2-Trifluoromethyl thioxanthone |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C14H7F3OS |
| Molecular Weight: | 280.27 |
| Synonyms: | Thioxanthen-9-one,2-(trifluoromethyl)- (7CI,8CI);2-(Trifluoromethyl)-9H-thioxanthen-9-one;2-(Trifluoromethyl)thioxanthen-9-one; |
| EINECS: | 216-893-7 |
| Density: | 1.433 g/cm3 |
| Melting Point: | 147-151 °C |
| Boiling Point: | 375.1 °C at 760 mmHg |
| Flash Point: | 180.7 °C |
| Appearance: | Yellow or Brown powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 45.31000 |
| LogP: | 4.43350 |
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Specification
The CAS register number of 2-(Trifluoromethyl)-9H-thioxanthen-9-one is 1693-28-3. It also can be called as 2-(Trifluoromethyl)-9H-thioxanthen-9-one and the IUPAC name about this chemical is 2-(trifluoromethyl)thioxanthen-9-one. The molecular formula about this chemical is C14H7F3OS and the molecular weight is 280.26. It belongs to the following product categories, such as Sulphur Derivatives; Heterocyclic Building Blocks; Others; S-Containing and so on. This chemical is stable under normal temperature and pressure, you need avoid contact with oxides. If you want to store this chemical, please keep it in a closed container and store it in a dty, cool place.
Physical properties about 2-(Trifluoromethyl)-9H-thioxanthen-9-one are: (1)ACD/LogP: 4.56; (2)ACD/LogD (pH 5.5): 4.56; (3)ACD/LogD (pH 7.4): 4.56; (4)ACD/BCF (pH 5.5): 1725.46; (5)ACD/BCF (pH 7.4): 1725.46; (6)ACD/KOC (pH 5.5): 7220.6; (7)ACD/KOC (pH 7.4): 7220.6; (8)#H bond acceptors: 1; (9)Polar Surface Area: 42.37Å2; (10)Index of Refraction: 1.601; (11)Molar Refractivity: 67.06 cm3; (12)Molar Volume: 195.5 cm3; (13)Polarizability: 26.58x10-24cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Flash Point: 180.7 °C; (16)Enthalpy of Vaporization: 62.26 kJ/mol; (17)Boiling Point: 375.1 °C at 760 mmHg; (18)Vapour Pressure: 7.97E-06 mmHg at 25°C.
Uses of 2-(Trifluoromethyl)-9H-thioxanthen-9-one: it can be used to produce 2-trifluoromethylthioxanthene at temperature of 0 - 5 °C. This reaction will need reagent BH3 and solvent tetrahydrofuran with reaction time of 0.5 hours. The yield is about 81%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2cc1C(=O)c3c(Sc1cc2)cccc3
(2)InChI: InChI=1/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
(3)InChIKey: NEWRXGDGZGIHIS-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
(5)Std. InChIKey: NEWRXGDGZGIHIS-UHFFFAOYSA-N