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| CAS No.: | 509-34-2 |
|---|---|
| Name: | Solvent Red 49 |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C28H30N2O3 |
| Molecular Weight: | 442.558 |
| Synonyms: | C.I.Solvent Red 49 (7CI);Fluoran, 3',6'-bis(diethylamino)- (6CI,8CI);AizenRhodamine B Base;Baso Red 546;CertiqualRhodamine;Eljon Magenta Toner;Lacquer Pink S;NSC 43944;Oil Pink 312;Oil Red 312;Orient Oil Pink 312;Orient Pink 312;Rhodamine B Base Extra;Rhodamine B base;Rhodamine Base FB;Rhodamine S lactone;Waxoline Rhodamine BS; |
| EINECS: | 208-096-8 |
| Density: | 1.24 g/cm3 |
| Boiling Point: | 637.2 °C at 760 mmHg |
| Flash Point: | 339.1 °C |
| Solubility: | soluble in water and ethanol |
| Appearance: | lilac fine crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-36/37 |
| PSA: | 59.52000 |
| LogP: | 4.22630 |
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| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 2h; Inert atmosphere; | 94% |
| With sodium hydroxide In water | 90% |
| With sodium hydroxide | 90.2% |
| With sodium hydroxide In ethyl acetate |
- 509-34-2
rhodamine B
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethyl acetate | 93% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 180 - 190℃; | |
| at 180℃; |
- 5809-23-4
2'-Carboxy-4-diethylamino-2-hydroxybenzophenon
- 91-68-9
3-diethylaminophenol
- 509-34-2
rhodamine B
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| erythromycin In dimethyl sulfoxide Rate constant; various solvents; | |
| In chloroform at 25 - 50℃; Equilibrium constant; Rate constant; effect of erythromycin A; | |
| In ethanol at 25℃; Equilibrium constant; Thermodynamic data; other temperatures; other solvents; | |
| In methanol at 24.9℃; under 735.8 Torr; Equilibrium constant; var. solvents and pressure; | |
| In ethanol Equilibrium constant; |
- 509-34-2
rhodamine B
| Conditions | Yield |
|---|---|
| With ethanol; sodium acetate at 200 - 220℃; im Autoklaven; |
- 1118784-85-2
rhodamine B
- 509-34-2
rhodamine B
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 509-34-2
rhodamine B
| Conditions | Yield |
|---|---|
| With trichlorophosphate In dichloromethane for 3h; Reflux; Inert atmosphere; | 100% |
| With trichlorophosphate In dichloromethane for 4h; Heating; | |
| With trichlorophosphate In dichloromethane for 4h; Reflux; |
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 24h; | 98% |
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Specification
The IUPAC name of Solvent Red 49 is 3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one. With the CAS registry number 509-34-2, it is also named as Aizen Rhodamine B Base; Fluoran, 3',6'-bis(diethylamino)- (8CI). The product's categories are organics and solvent dyestuff. It is lilac fine crystalline powder which is soluble in water and ethanol, slightly soluble in acetone, and easily soluble in glycol ether. In addition, this chemical is used for coloring of oils, candles, rubber, plastic and lacquer.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.26; (4)ACD/LogD (pH 7.4): 6.74; (5)ACD/BCF (pH 5.5): 25657.88; (6)ACD/BCF (pH 7.4): 77874.13; (7)ACD/KOC (pH 5.5): 36109.74; (8)ACD/KOC (pH 7.4): 109596.54; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 129.73 cm3; (14)Molar Volume: 354.5 cm3; (15)Polarizability: 51.42×10-24 cm3; (16)Surface Tension: 58 dyne/cm; (17)Enthalpy of Vaporization: 94.13 kJ/mol; (18)Vapour Pressure: 3.9E-16 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 442.225643; (21)MonoIsotopic Mass: 442.225643; (22)Topological Polar Surface Area: 42; (23)Heavy Atom Count: 33.
Preparation of Solvent Red 49: Using 2-hydroxy-N, N-diethyl aniline and phthalic anhydride as raw materials. Condensating this two raw materials in the presence of sulfuric acid, and by alkali soluble, acid soluble to handle the product. After filtration and drying, we can get the product.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it is irritating to respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C2OC4(c1ccccc12)c5ccc(N(CC)CC)cc5Oc3cc(N(CC)CC)ccc34;
2. InChI: InChI=1/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3.