CAS No.6994-46-3,Solvent Blue 59 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6994-46-3
Name:	Solvent Blue 59
Article Data:	4

Formula:	C₁₈H₁₈N₂O₂
Molecular Weight:	294.353
Synonyms:	Anthraquinone,1,4-bis(ethylamino)- (6CI,7CI,8CI);1,4-Bis(ethylamino)-9,10-anthraquinone;1,4-Bis(ethylamino)anthraquinone;C.I. 61552;C.I. Solvent Blue 105;C.I.Solvent Blue 59;Calco Oil Blue N;Ceres Blue N;Kayaset Blue FR;Solvent Blue105;
EINECS:	230-263-9
Density:	1.274 g/cm³
Melting Point:	215-217 °C(lit.)
Boiling Point:	538.6 °C at 760 mmHg
Flash Point:	203.7 °C
Appearance:	Blue liquid at 20? C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	58.20000
LogP:	3.47160

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Specification

The Sudan blue is an organic compound with the formula C₁₈H₁₈N₂O₂. The IUPAC name of this chemical is 1,4-bis(ethylamino)anthracene-9,10-dione. With the CAS registry number 6994-46-3, it is also named as 1,4-Bis(ethylamino)anthraquinone. And the product's categorie is solvent dyestuff. The other registry number is 81859-26-9. In addition, this chemical is used for coloring a variety of plastics.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 29.05; (6)ACD/BCF (pH 7.4): 77.51; (7)ACD/KOC (pH 5.5): 291.82; (8)ACD/KOC (pH 7.4): 778.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.678; (13)Molar Refractivity: 87.15 cm³; (14)Molar Volume: 230.9 cm³; (15)Polarizability: 34.55×10^-24 cm³; (16)Surface Tension: 61.9 dyne/cm; (17)Enthalpy of Vaporization: 81.58 kJ/mol; (18)Vapour Pressure: 1.14E-11 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Tautomer Count: 7; (21)Exact Mass: 294.136828; (22)MonoIsotopic Mass: 294.136828; (23)Topological Polar Surface Area: 58.2; (24)Heavy Atom Count: 22.

Preparation of Sudan blue: It can be obtained by sulfuric acid diethyl ester and 1,4-diamino-anthraquinone with the reagent NaOH, K₂CO₃, tetrabutylammonium bromide and solvent 1,2-dichloro-ethane at the temperature of 50-55 °C. The reaction time is 3 hours. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C2c1ccccc1C(=O)c3c2c(ccc3NCC)NCC;
2. InChI: InChI=1/C18H18N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10,19-20H,3-4H2,1-2H3.