12224-40-7
2,5-Di(5-tert-butylbenzoxazol-2-yl)thiophene
CAS: 7128-64-5;12224-40-7
Molecular Formula: C26H26N2O2S
12224-40-7 - Names and Identifiers
| Name | 2,5-Di(5-tert-butylbenzoxazol-2-yl)thiophene |
| Synonyms | C.I. 184 Fluorescent Brightener OB Fluorescent Brightener 184 Fluorescent Brightener OB-4 Optical Brightening Agent OB Fluorescent Whitening Agent OB Fluorescent brightening agent 184 2,5-Di(5-tert-butylbenzoxazol-2-yl)thiophene |
| CAS | 7128-64-5 12224-40-7 |
| EINECS | 230-426-4 |
| InChI | InChI=1/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3 |
| InChIKey | AIXZBGVLNVRQSS-UHFFFAOYSA-N |
12224-40-7 - Physico-chemical Properties
| Molecular Formula | C26H26N2O2S |
| Molar Mass | 430.56 |
| Density | 1.185g/cm3 |
| Melting Point | 196-202℃ |
| Boling Point | 531.2°C at 760 mmHg |
| Flash Point | 275.1°C |
| Water Solubility | Soluble in acetone and toluene. Insoluble in water. |
| Vapor Presure | 7.83E-11mmHg at 25°C |
| Appearance | Morphological powder |
| pKa | 3.03±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.617 |
| MDL | MFCD00005774 |
| Physical and Chemical Properties | The chemical product is yellow-green powder. The melting point is 200~201 ℃, and the decomposition temperature is greater than 220 ℃. Insoluble in water, soluble in alkanes, fats, mineral oils, waxes and usual organic solvents. Solubility/(g/100 ml): methanol 0.05; Acetone 0.5; Toluene 5.3; Carbon tetrachloride 5.9; Tetrahydrofuran 5.5;DMF0.8; Chlorobenzene 10.2; Cyclohexane 3.3; Xylene 5.5; Dioctyl phthalate 0.7; Water 0.01. The maximum absorption wavelength is 374nm. |
| Use | Mainly used for PVC, PS, PE, PP, ABS and other plastics and acetate, paint, paint, ink and other whitening |
12224-40-7 - Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | DM4888332 |
| TSCA | Yes |
| HS Code | 29349990 |
| Toxicity | LD50 orl-rat: >10 g/kg MVCRB3 2,193,1973 |
12224-40-7 - Upstream Downstream Industry
12224-40-7 - safety
Open Data Verified Data
This product can be managed according to general industrial chemicals. When using it, gloves and protective glasses should be worn to avoid direct contact with the skin and eyes. If it gets on the skin, rinse with water and soap. Place in a cool and dry warehouse to prevent exposure to sunlight and rain.
Last Update：2023-10-20 11:11:39
12224-40-7 - Preparation method
Open Data Verified Data
1. Put 120kg of chlorobenzene into the reactor and add 21kg of o-amino-p-tert-butylphenol. Slowly add 19kg of chloromethyliminoethyl ether hydrochloride under stirring at room temperature. After dripping, heat up and reflux. React for 3-4 hours. Recycle chloroform. Approximately 24kg of brown oil was obtained.
2. Add 200kg of water to the vulcanization kettle, followed by 45kg of sodium disulfide and 0.5kg of PTC (as phase transfer catalysts). After stirring and dissolving, cool to 10 ℃, add a dichloromethane solution of the above reactants dropwise, stir for 10 hours, let it stand for layering, and wash the organic layer with water. Reclaiming dichloromethane yields approximately 23kg of yellow solid. Dissolve it in 100kg dimethyl sulfoxide and add 2.8kg glyoxal. Stir and cool to 0 ℃ under nitrogen protection, and add 20kg of 30% sodium methoxide methanol solution dropwise. React for 5-6 hours. Acidify the material with 1:2 dilute hydrochloric acid to a pH value of 5-6, reduce pressure to evaporate methanol, cool and filter, wash the filter cake with water to neutral, and dry. Recrystallize with ethyl acetate to obtain fluorescent whitening agent OB.
Last Update：2024-01-02 23:10:35
12224-40-7 - Nature
| solubility | toluene: soluble50mg/mL |
| maximum wavelength (& lambda;max) | 373nm(EtOH)(lit.) |
| Merck | 14,1014 |
| BRN | 631803 |
| stability | Stable. Incompatible with strong oxidizing agents. |
| NIST chemical information | Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)-(7128-64-5) |
| EPA chemical information | 2,2'-(2,5-Thiophenediyl)bis[5-tert-butylbenzoxazole] (7128-64-5) |
Last Update：2024-04-09 19:55:45
12224-40-7 - Uses and synthesis methods
use
1. This product is used for whitening polyvinyl chloride, polystyrene, ABS resin, polyolefin and polyester. It is also used for whitening acetate fiber, polymethyl methacrylate and foam artificial leather. Also used in varnish, paint, UV curable paint, printing ink, fat, oil, packaging materials. The application of this product in printing ink can be used as anti-counterfeiting mark. In photography, it can be used to improve the whiteness of the non-image area of the photo, which can convert the photo into fluorescence when irradiated by ultraviolet light. It produces a whitening effect.
2, mainly used for whitening PVC, PS, PE, PP, ABS and other plastics and acetate fiber, paint, paint, ink and other
3. it is mainly used for whitening synthetic fibers and plastic products, which has obvious bright effect on colored plastic products, and is also used for PE, PP, PVC, PS, ABS, etc.
4. Biochemical studies
5. reactant 2,2 '-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)-Benzoxazole
production method
put 120 kg of chlorobenzene into the reaction kettle and add 21 kg of o-amino p-tert-butylphenol. 19 kg of chloromethyl imine ether hydrochloride was added slowly dropwise at room temperature under stirring. After dripping, heat up and reflux. The reaction was 3~4 h. Recover chloroform. About 24 kg of brown oil was obtained.
200 kg of water was added into the vulcanization kettle, then 45 kg of sodium disulfide and 0.5 kgPTC (as phase transfer catalyst) were added. After stirring and dissolving, it is cooled to 10 ℃, the dichloromethane solution of the above reactants is added dropwise, stirred for 10 h, left to stand in layers, and the organic layer is washed with water. Recover methylene chloride to obtain about 23 kg of yellow solid. It was dissolved in 100 kg of dimethyl sulfoxide and 2.8kg of glyoxal was added. Stir and cool to 0 ℃ under nitrogen protection, and drop 20 kg of 30% sodium methoxide methanol solution. The reaction was 5~6h. Use 1: 2 dilute hydrochloric acid to acidify the material to a pH value of 5~6, steam out methanol under reduced pressure, cool and filter, wash the filter cake with water to neutral, and dry. Recrystallization with ethyl acetate to obtain fluorescent whitening agent OB.
category
toxic substances
toxicity classification
low toxicity
acute toxicity
oral-rat LD50: >10000 mg/kg
flammability hazard characteristics
Flammable; combustion produces toxic nitrogen oxides and sulfur oxide smoke
storage and transportation features
Warehouse ventilation and low temperature drying
fire extinguishing agent
Dry powder, foam, sand, carbon dioxide, mist water
Last Update：2024-04-09 19:55:45
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Raw Materials for 12224-40-7