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Cas Database |
| Name |
Solvent Blue 11 |
EINECS | 204-912-1 |
| CAS No. | 128-85-8 | Density | 1.312g/cm3 |
| PSA | 58.20000 | LogP | 4.70170 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H18N2O2 | Boiling Point | 575.1 °C at 760 mmHg |
| Molecular Weight | 342.397 | Flash Point | 203.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Anthraquinone,1-(methylamino)-4-p-toluidino- (6CI,7CI,8CI);1-(Methylamino)-4-[(4-methylphenyl)amino]anthraquinone;1-(Methylamino)-4-p-toluidinoanthraquinone;1-(N-Methylamino)-4-p-toluidino-9,10-anthraquinone;Ahcoquinone Blue ASTB Base;Alizarine Pure Blue B Base;C.I. 61525;C.I. Solvent Blue 11;Iketon Sudan BlueExtra;NSC 39906;Nitro Fast Blue 3GB;Oleosol Blue G;Organol Blue;OrganolBlue J;Organol Brilliant Blue J;Smoke Blue A;Somalia Blue G;Sudan Blue G;Sudan Blue GA;Superlan Astrol B Base;Waxoline Blue GA; |
Article Data | 9 |
Solvent Blue 11 Specification
The 9,10-Anthracenedione,1-(methylamino)-4-[(4-methylphenyl)amino]-, with CAS registry number 128-85-8, belongs to the following product categories: (1)Aminoanthraquinones; (2)Anthraquinones; (3)Solvent Dyestuff. It has the systematic name of 1-(methylamino)-4-[(4-methylphenyl)amino]anthracene-9,10-dione. And the chemical formula of this chemical is C22H18N2O2.
Physical properties of 9,10-Anthracenedione,1-(methylamino)-4-[(4-methylphenyl)amino]-: (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): 287.78; (6)ACD/BCF (pH 7.4): 305.26; (7)ACD/KOC (pH 5.5): 1969.83; (8)ACD/KOC (pH 7.4): 2089.5; (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)Polarizability: 40.62×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 203.2 °C; (20)Enthalpy of Vaporization: 86.15 kJ/mol; (21)Boiling Point: 575.1 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)c3c2c(ccc3NC)Nc4ccc(cc4)C
(2)InChI: InChI=1/C22H18N2O2/c1-13-7-9-14(10-8-13)24-18-12-11-17(23-2)19-20(18)22(26)16-6-4-3-5-15(16)21(19)25/h3-12,23-24H,1-2H3
(3)InChIKey: ITYXXSSJBOAGAR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C22H18N2O2/c1-13-7-9-14(10-8-13)24-18-12-11-17(23-2)19-20(18)22(26)16-6-4-3-5-15(16)21(19)25/h3-12,23-24H,1-2H3
(5)Std. InChIKey: ITYXXSSJBOAGAR-UHFFFAOYSA-N
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