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Solvent Red 197

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Name

Solvent Red 197

EINECS 257-885-3
CAS No. 52372-39-1 Density 1.33 g/cm3
PSA 81.32000 LogP 4.68398
Solubility Insoluble in water Melting Point N/A
Formula C23H19N5O Boiling Point 557.8 °C at 760 mmHg
Molecular Weight 381.437 Flash Point 291.2 °C
Transport Information N/A Appearance Bright red powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52372-39-1 (Solvent Red 197) Hazard Symbols N/A
Synonyms

C.I.505720;C.I. Solvent Red 197;Day-Glo Volga Red;Fluorol Red GK;Solvent Red197;

Article Data 5

Solvent Red 197 Specification

The 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino- is an organic compound with the molecular formula C23H19N5O. The systematic name of this chemical is 3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile. With the CAS registry number 52372-39-1, it is also named as Solvent Red 197. The product's categories is solvent dyestuff. In addition, it is bright red powder which is insoluble in water.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 8.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4102; (6)ACD/BCF (pH 7.4): 7226; (7)ACD/KOC (pH 5.5): 11393; (8)ACD/KOC (pH 7.4): 20072; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.713; (13)Molar Refractivity: 111.614 cm3; (14)Molar Volume: 284.671 cm3; (15)Polarizability: 44.247×10-24 cm3; (16)Surface Tension: 54.897 dyne/cm; (17)Enthalpy of Vaporization: 83.977 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 381.15896; (21)MonoIsotopic Mass: 381.15896; (22)Topological Polar Surface Area: 77.9; (23)Heavy Atom Count: 29; (24)Complexity: 803.

Preparation of 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino-: It can be obtained by 4-diethylamino salicylaldehyde, 2-cyanomethyl benzimidazole and malononitrile. First, condensating 4-diethylamino salicylaldehyde and 2-cyanomethyl benzimidazole in DMF and then with malononitrile condensation, then closed loop to get the product.

Uses of this chemical: It is mainly used for coloring polystyrene, polyvinyl chloride, polycarbonate and other plastics. And it is particularly suitable for light-colored and transparent colors. In addition, it can be used for staining variety of resin and fiber.

People can use the following data to convert to the molecule structure. 
1. SMILES: CCN(CC)c3ccc4/C=C5/c2nc1ccccc1n2C(=N)C(\C#N)=C5\Oc4c3;
2. InChI: InChI=1/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3.

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