Ultraviolet absorber UV-327 CAS#: 3864-99-1; ChemWhat Code: 50738
Identification
| Product Name | Ultraviolet absorber UV-327 |
| IUPAC Name | 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol |
| Molecular Structure |  |
| CAS Registry Number | 3864-99-1 |
| EINECS Number | 223-383-8 |
| MDL Number | MFCD00059706 |
| Beilstein Registry Number | No data available |
| Synonyms | 2-(5′-chloro-2’H-benzotriazol-2′-yl)-4,6-di-tert-butylphenol, tinuvin-327 |
| Molecular Formula | C20H24ClN3O |
| Molecular Weight | 357.88 |
| InChI | InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3 |
| InChI Key | UWSMKYBKUPAEJQ-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)c1cc(c(c(c1)n2nc3ccc(cc3n2)Cl)O)C(C)(C)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2020/120586 | LIQUID-CRYSTAL MEDIUM | 2020 |
| US4224451 | Process for the preparation of 2-aryl-2H-benzotriazoles | 1980 |
| US5843339 | Processes for the preparation of benzotriazole UV absorbers | 1998 |
Physical Data
| Appearance | Light yellow powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 149 – 153 | |
| 154 – 156 | |
| 154 – 156 | ethanol, CH2Cl2 |
| Density, g·cm-3 | Type (Density) |
| 1.253 | crystallographic |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Comment (NMR Spectroscopy) |
| Chemical shifts | 1H | chloroform-d1 | 300.1 | |
| Chemical shifts | 13C | chloroform-d1 | 75.5 | |
| Chemical shifts | 13C | neat (no solvent, solid phase) | 100 | |
| Chemical shifts | 15N | neat (no solvent, solid phase) | 40 | |
| Chemical shifts | 1H | CDCl3 | 300 | |
| Spin-spin coupling constants | CDCl3 | 1H-1H |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | KBr |
| Description (Mass Spectrometry) |
| liquid chromatography mass spectrometry (LCMS), tandem mass spectrometry, spectrum |
| spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Spectrum | acetonitrile | ||
| Spectrum | CHCl3 | ||
| CHCl3 | 313, 347 | 15200, 16800 | |
| polymer matrix, film | 314 | ||
| CHCl3 | 353 | 15540 | |
| Spectrum | 2-methyl-tetrahydro-furan, various solvent(s) | ||
| Absorption maxima | 311, 347 | 14791, 16218 |
| Description (Fluorescence Spectroscopy) | Solvent (Fluorescence Spectroscopy) | Comment (Fluorescence Spectroscopy) |
| Spectrum | solid matrix | 300 – 400 nm |
| Maxima | 720 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| With hydrogen; potassium hydroxide; sodium hydroxide In 1,4-dioxane; water at 100℃; under 750.075 Torr; Autoclave; | 97.95% |
| With sodium hydroxide; thiourea dioxide In ethanol at 85 – 90℃; for 1h; | 80% |
| With sodium hydroxide; lithium perchlorate In tetrahydrofuran; water at 20℃; Cyclization; Electrolysis; | 92 % Chromat. |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H373 (92.48%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (88.87%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P273, P314, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 357.883 |
| logP | 7.835 |
| HBA | 3 |
| HBD | 1 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 50.94 |
| Rotatable Bond (RotB) | 3 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Ultraviolet absorber UV-327 CAS#: 3864-99-1 Environmental protection |
| Ultraviolet absorber UV-327 CAS#: 3864-99-1 UV absorber |
| Ultraviolet absorber UV-327 CAS#: 3864-99-1 Component of stabilizer mixture for stabilizing an organic material, in particular a polyolefin, against degradation induced by light, heat or oxidation |
| Ultraviolet absorber UV-327 CAS#: 3864-99-1 Light-stabilizer |
| Co-stabilizer |
| Ultraviolet absorbing agent for light-sensitive photographic material |
| useful as UV absorbing and light stabilizing additive in plastic films and fibers |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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