CAS No.6408-50-0,Solvent Blue 63 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6408-50-0
Name:	Solvent Blue 63
Article Data:	1

Formula:	C₂₂H₁₈N₂O₂
Molecular Weight:	342.397
Synonyms:	Anthraquinone,1-(methylamino)-4-m-toluidino- (7CI,8CI);1-(Methylamino)-4-(3-methylanilino)anthraquinone;1-(Methylamino)-4-[(3-methylphenyl)amino]anthraquinone;C.I. 61520;C.I.Solvent Blue 63;Ceres Blue 603;Ceres Blue GN;Japan Blue 403;Kayaset Blue714;NSC 297574;Plast Blue 8540;Sico Fat Blue R 8075;Solvent Blue 63;SudanBlue GN;
EINECS:	229-059-2
Density:	1.312 g/cm³
Boiling Point:	566.4 °C at 760 mmHg
Flash Point:	199.1 °C
PSA:	58.20000
LogP:	4.70170

Synthetic route

: 128-93-8
1-bromo-4-(methylamino)-9,10-anthracenedione

: 108-44-1
1-amino-3-methylbenzene

: 6408-50-0
solvent blue 63

Conditions

Conditions	Yield
With copper(II) sulfate; sodium hydroxide at 100℃; for 7h; Temperature;	92%

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Specification

The Solvent Blue 63, with the CAS registry number 6408-50-0, is also known as 1-(Methylamino)-4-[(3-methylphenyl)amino]-9,10-anthraquinone. It belongs to the product categories of Organics and Solvent Dyestuff. Its EINECS registry number is 229-059-2. This chemical's molecular formula is C₂₂H₁₈N₂O₂ and molecular weight is 342.39. What's more, its IUPAC name is 1-(Methylamino)-4-(3-methylanilino)anthracene-9,10-dione and systematic name is called 1-(Methylamino)-4-[(3-methylphenyl)amino]anthracene-9,10-dione. Solvent Blue 63 obtained from 1-Bromo-4-A aminoanthraquinone and m-Toluidine by condensation is used for all types of plastic staining. It is the red and purple dissolved in concentrated sulfuric acid, and yellow purple after dilution.

Physical properties about Solvent Blue 63 are: (1) ACD/LogP: 3.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.55; (4) ACD/LogD (pH 7.4): 3.57; (5) ACD/BCF (pH 5.5): 289.42; (6) ACD/BCF (pH 7.4): 305.29; (7) ACD/KOC (pH 5.5): 1981.04; (8) ACD/KOC (pH 7.4): 2089.65; (9) #H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 40.62 Å²; (13) Index of Refraction: 1.715; (14) Molar Refractivity: 102.47 cm³; (15) Molar Volume: 260.8 cm³; (16) Surface Tension: 64.7 dyne/cm; (17) Density: 1.312 g/cm³; (18) Flash Point: 199.1 °C; (19) Enthalpy of Vaporization: 85.06 kJ/mol; (20) Boiling Point: 566.4 °C at 760 mmHg; (21) Vapour Pressure: 7.52E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1C(=O)c3c2c(ccc3NC)Nc4cc(ccc4)C
(2) InChI: InChI=1/C22H18N2O2/c1-13-6-5-7-14(12-13)24-18-11-10-17(23-2)19-20(18)22(26)16-9-4-3-8-15(16)21(19)25/h3-12,23-24H,1-2H3
(3) InChIKey: GBAJQXFGDKEDBM-UHFFFAOYAO