Products Categories
| CAS No.: | 7128-64-5 |
|---|---|
| Name: | Benzoxazole,2,2'-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)- |
| Article Data: | 12 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C26H26N2O2S |
| Molecular Weight: | 430.571 |
| Synonyms: | B-184;FBA 184;OptiblancPL;UVITEX;2,4-DICHLORO-5-BROMOPYRIMIDINE,COLOURLESS OIL;EUTEX OB-RC;bbot150;UVITEX OB;UVITEX 2B; |
| EINECS: | 230-426-4 |
| Density: | 1.185 g/cm3 |
| Melting Point: | 199-201 °C(lit.) |
| Boiling Point: | 531.2 °C at 760 mmHg |
| Flash Point: | 275.1 °C |
| Solubility: | Soluble in acetone and toluene. Insoluble in water. |
| Appearance: | light yellow-green crystals |
| Hazard Symbols: | N/A |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| Transport Information: | N/A |
| PSA: | 80.30000 |
| LogP: | 7.95950 |
| Conditions | Yield |
|---|---|
| With boric acid In toluene at 170 - 240℃; Solvent; Temperature; Inert atmosphere; | 98.7% |
Uvitex OB
| Conditions | Yield |
|---|---|
| at 200℃; for 3h; Yield given; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Heating 2: 3 h / 200 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: N-methyl-2-pyrrolidone, thionyl chloride 2: Heating 3: 3 h / 200 °C View Scheme |
| Conditions | Yield |
|---|---|
| In 1,2,5-trimethyl-benzene under reflux; | 99% |
decacarbonyldirhenium(0)
1,4-dihydroxy-9,10-anthracenedione
Uvitex OB
[(Re(CO)3)4(2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene)2(1,4-dihydroxy-9,10-anthraquinone(-2H))2]
| Conditions | Yield |
|---|---|
| In 1,2,5-trimethyl-benzene under reflux; | 99% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran Stirring for several h; Under Ar or N2; | 98% |
| Conditions | Yield |
|---|---|
| In 1,3,5-trimethyl-benzene Heating / reflux; |
| Conditions | Yield |
|---|---|
| In 1,3,5-trimethyl-benzene Heating / reflux; |
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Reported in EPA TSCA Inventory.
The Fluorescent Brightener 184, with the CAS registry number 7128-64-5,is also known as 2,5-Bis(5'-tert-butyl-2-benzoxazol-2-yl)thiophene; 2,5-Di(5-tert-butylbenzoxazol-2-yl)thiophene; BBOT. It belongs to the product categories of Industrial/Fine Chemicals;Organics;Electroluminescence;Functional Materials. This chemical's molecular formula is C26H26N2O2S and molecular weight is 430.56. What's more,Its systematic name is 2,5-Thiophenediylbis(5-tert-butyl-1,3-benzoxazole). It is a light yellow-green crystals which is stable,incompatible with strong oxidizing agents. It is irritating to eyes, respiratory system and skin,when you use it ,you should avoid contact with skin and eyes.
Physical properties about Fluorescent Brightener 184 are:
(1)ACD/LogP: 7.221; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 7.22; (4)ACD/LogD (pH 7.4): 7.22; (5)ACD/BCF (pH 5.5): 180379.00; (6)ACD/BCF (pH 7.4): 180987.80; (7)ACD/KOC (pH 5.5): 201156.00; (8)ACD/KOC (pH 7.4): 201835.00; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 127.062 cm3; (14)Molar Volume: 363.126 cm3; (15)Surface Tension: 44.3610000610352 dyne/cm; (16)Density: 1.186 g/cm3; (17)Flash Point: 275.064 °C; (18)Enthalpy of Vaporization: 77.636 kJ/mol; (19)Boiling Point: 531.207 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:o1c5c(nc1c2sc(cc2)c3nc4cc(ccc4o3)C(C)(C)C)cc(cc5)C(C)(C)C;
(2)Std. InChI:InChI=1S/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;
(3)Std. InChIKey:AIXZBGVLNVRQSS-UHFFFAOYSA-N.
The toxicity data of Fluorescent Brightener 184 are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. |
