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Solvent Red 49

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Name

Solvent Red 49

EINECS 208-096-8
CAS No. 509-34-2 Density 1.24 g/cm3
PSA 59.52000 LogP 4.22630
Solubility soluble in water and ethanol Melting Point N/A
Formula C28H30N2O3 Boiling Point 637.2 °C at 760 mmHg
Molecular Weight 442.558 Flash Point 339.1 °C
Transport Information N/A Appearance lilac fine crystalline powder
Safety 26-36/37 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 509-34-2 (Solvent Red 49) Hazard Symbols HarmfulXn
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;

Article Data 17

Solvent Red 49 Synthetic route

81-88-9

rhodamine B

509-34-2

rhodamine B

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Inert atmosphere;94%
With sodium hydroxide In water90%
With sodium hydroxide90.2%
With sodium hydroxide In ethyl acetate

rhodamine B

509-34-2

rhodamine B

Conditions
ConditionsYield
With sodium hydroxide In ethyl acetate93%
528-46-1

phthalonic acid

91-68-9

3-diethylaminophenol

509-34-2

rhodamine B

Conditions
ConditionsYield
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
ConditionsYield
With sulfuric acid
With sulfuric acid
3375-25-5

rhodamine B

509-34-2

rhodamine B

Conditions
ConditionsYield
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;
109-89-7

diethylamine

6-chloro-3-diethylamino-fluorane

6-chloro-3-diethylamino-fluorane

509-34-2

rhodamine B

3.6-dichloro-fluorane

3.6-dichloro-fluorane

hydrochloride of diethylamine

hydrochloride of diethylamine

509-34-2

rhodamine B

Conditions
ConditionsYield
With ethanol; sodium acetate at 200 - 220℃; im Autoklaven;
1118784-85-2

rhodamine B

509-34-2

rhodamine B

Conditions
ConditionsYield
With sodium hydroxide
509-34-2

rhodamine B

N-(9-(2-(chlorocarbonyl)phenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride

Conditions
ConditionsYield
With trichlorophosphate In dichloromethane for 3h; Reflux; Inert atmosphere;100%
With trichlorophosphate In dichloromethane for 4h; Heating;
With trichlorophosphate In dichloromethane for 4h; Reflux;
509-34-2

rhodamine B

1137-42-4

4-Hydroxybenzophenone

C28H30O3N2*C13H10O2

Conditions
ConditionsYield
In acetonitrile at 20℃; for 24h;98%

Solvent Red 49 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.

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