1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane CAS#: 2374-14-3; ChemWhat Code: 31029
Identification
| Product Name | 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane |
| IUPAC Name | 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane |
| Molecular Structure | ![Structure of 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane CAS 2374-14-3](https://www.chemwhat.com/wp-content/uploads/2017/11/Structure-of-135-Tris333-trifluoropropylmethylcyclotrisiloxane-CAS-2374-14-3.png) |
| CAS Registry Number | 2374-14-3 |
| EINECS Number | No data available |
| MDL Number | MFCD00054667 |
| Beilstein Registry Number | No data available |
| Synonyms | 1,3,5-tris(3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane, 1,3,5-tris[(3,3,3-trifluoropropyl)-1,3,5-trimethyl]cyclotrisiloxane, 1,3,5-tris(3,3,3-trifluoropropyl)-1,3,5-trimethyl-cyclotrisiloxane, 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane, 2,4,6-tris(3,3,3-trifluoropropyl)-2,4,6-trimethylcyclotrisiloxane, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, 1,3,5-tris((trifluoropropyl)methyl)cyclotrisiloxane |
| Molecular Formula | C12H21F9O3Si3 |
| Molecular Weight | 468.54 |
| InChI | InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3 |
| InChI Key | URZHQOCYXDNFGN-UHFFFAOYSA-N |
| Canonical SMILES | C[Si]1(O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| JP2016/150906 | A method of manufacturing a linear Organotrisiloxane compd. (by machine translation) | 2016 |
| US6037486 | Cracking of fluorosilicones to produce 1,3, 5-tris (3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane | 2000 |
| US6437008 | Aqueous organopolysiloxane emulsion and method for the preparation thereof | 2002 |
Physical Data
| Appearance | White needle-like crystals |
| Solubility | It is soluble in water as well as soluble in alcohol, benzene. |
| Flash Point | 90ºC |
| Refractive index | 1.38 |
| Sensitivity | Water: 4: no reaction with water under neutral conditions |
| Melting Point, °C | Solvent (Melting Point) |
| 35.2 | |
| -15.5 | |
| 35.5 – 36 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 120 | 10 |
| 104 | 4 |
| 239 | 759 |
| 243 | 759 |
| 95 | 3 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 1.21043 | 54.99 | |
| 1.21706 | 49.99 | |
| 1.22361 | 44.99 | |
| 1.2302 | 39.99 | |
| 1.23641 | 34.99 | |
| 1.25 | 4 | 20 |
| 1.2309 | 4 | 20 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.35215 | 589 | 54.99 |
| 1.35413 | 589 | 49.99 |
| 1.35614 | 589 | 44.99 |
| 1.35814 | 589 | 39.99 |
| 1.3669 | 589 | 20 |
| 1.3654 | 589 | 25 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Comment (NMR Spectroscopy) |
| Chemical shifts | 1H | acetone-d6 | |
| Chemical shifts | 1H | CDCl3 | 29Si |
| NMR |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Absorption maxima | heptane | 187.8 | 40 |
| Absorption maxima | acetonitrile | 199.2 | 70 |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane CAS 2374-14-3](https://www.chemwhat.com/wp-content/uploads/2017/11/Route-of-Synthesis-ROS-of-135-Tris333-trifluoropropylmethylcyclotrisiloxane-CAS-2374-14-3.png)
| Conditions | Yield |
| Stage #1: 1,3,5-tris(3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane; dimethylsilicon dichloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone at 20℃; for 12h; Inert atmosphere; Stage #2: With ammonia In toluene at 5℃; for 6h; Cooling with ice; Experimental Procedure A 5 L three-neck separable flask was charged with tris(3,3,3-trifluoropropyl)trimethylcyclotrisiloxane (777.76 g, 1.66 mol, 1.0 equivalent), dimethyldichlorosilane (236.59 g, 1.83 mol, 1.1 equivalents) and 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (2.15 g, 0.017 mol, 0.01 equivalents), and the resulting mixture was stirred under a nitrogen atmosphere at room temperature for 12 hours. Subsequently, the thus obtained crude product was dissolved in toluene (2 kg), the resulting solution was cooled to 5° C. using an ice bath, and excess ammonia gas was passed through the solution for a period of 6 hours to effect a reaction. Following completion of the reaction, the reaction solution was stirred for 2 hours at 60° C. to volatilize the excess ammonia gas, and the reaction solution was then cooled to room temperature and filtered to remove by-product salts. Subsequently, the solvent and any neutral by-products such as ammonium salts were removed from the filtrate by heating under reduced pressure, yielding a cyclic polyorganosiloxanesilazane (3). GC-MS analysis confirmed that 799.36 g (overall yield: 89.1%) of the compound represented by formula (12) shown below had been obtained | 89.1% |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H301 (10.81%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (13.51%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (13.51%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (86.49%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H372 (86.49%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H373 (86.49%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P201, P202, P260, P264, P270, P280, P281, P301+P310, P302+P352, P305+P351+P338, P308+P313, P314, P321, P330, P332+P313, P337+P313, P362, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Class 6.1; Packaging Group: II; UN Number: 2811 |
| Under the room temperature and away from light | |
| HS Code | 293190 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 yearS |
| Market Price | USD |
| Use Pattern |
| 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane CAS#: 2374-14-3 is the main monomer for the preparation of fluorosilicone rubber, fluorosilicone resin, and fluorosilicone oil. |
| 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane CAS#: 2374-14-3 can be copolymerized with various monomers. |
| 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane CAS#: 2374-14-3 is also an intermediate for the synthesis of drugs, cosmetics, and surfactants. |
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