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CAS No.: | 12239-34-8 |
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Name: | Disperse blue 79 |
Molecular Structure: | |
Formula: | C24H27BrN6O10 |
Molecular Weight: | 639.417 |
Synonyms: | Acetamide,N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]-(9CI);C.I. Disperse Blue 79 (8CI);p-Acetophenetidide,5'-[bis(2-hydroxyethyl)amino]-2'-[(2-bromo-4,6-dinitrophenyl)azo]-, diacetate(6CI,7CI);2-Acetamido-4-[N,N-bis(b-acetoxyethyl)amino]-5-ethoxy-2'-bromo-4',6'-dinitroazobenzene;2-Bromo-4,6-dinitrophenylazo-2-acetamido-4-di-(2-acetoxyethyl)amino-5-ethoxybenzene;C.I. 11345;Dianix Navy S 2G;Disperse Blue 2GL;Disperse Navy Blue 2GL;Eastman Polyester Navy Blue 2R-LSW;Foron Navy Blue S 2GL;Foron Navy S 2GL;Navy Blue 2GL;Samaron MarineBlue G;Samaron Navy Blue G;Terasil Navy GRL;Tulasteron Navy Blue 2GDN; |
EINECS: | 235-475-5 |
Density: | 1.53 g/cm3 |
Melting Point: | 146°C |
Boiling Point: | 774.8 °C at 760 mmHg |
Flash Point: | 422.4 °C |
Solubility: | soluble in acetone |
Appearance: | dark gray uniform powder or granules |
PSA: | 210.53000 |
LogP: | 6.09000 |
IUPAC NAME: 2-[2-Acetamido-N-(2-acetyloxyethyl)-3-(2-bromo-4,6-dinitrophenyl)diazenyl-5-ethoxyanilino]ethyl acetate
EINECS: 235-475-5
Molecular Formula: C24H27BrN6O10
Molecular Weight: 639.41 g/mol
Density: 1.53 g/cm3
Flash Point: 422.4 °C
Boiling Point: 774.8 °C at 760 mmHg
Following is the structure of Disperse blue 79 (CAS NO.12239-34-8):
Index of Refraction: 1.617
Molar Refractivity: 146.03 cm3
Molar Volume: 417.1 cm3
Surface Tension: 56.5 dyne/cm
XLogP3-AA: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 13
Rotatable Bond Count: 14
Tautomer Count: 3
Exact Mass: 638.097204
MonoIsotopic Mass: 638.097204
Topological Polar Surface Area: 205
Heavy Atom Count: 41
Canonical SMILES: CCOC1=CC(=C(C(=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)N(CCOC(=O)C)CCOC(=O)C
InChI: InChI=1S/C24H27BrN6O10/c1-5-39-18-12-20(27-28-23-19(25)10-17(30(35)36)11-22(23)31(37)38)24(26-14(2)32)21(13-18)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32)
InChIKey: CXGBNTZHEOCOEN-UHFFFAOYSA-N
Product Categories: Dyes and Pigments ; Organics
Disperse blue 79 (CAS NO.12239-34-8) is mainly used for dyeing of polyester and blended fabrics.
Disperse blue 79 (CAS NO.12239-34-8) is also named as 4-(2-Bromo-4,6-dinitrophenylazo)-5-acetylamino-2-ethoxy-N,N-bis(beta-acetoxyethyl)aniline ; C.I. Disperse Blue 79 ; 2,2'-((5-Acetamide-4-((2-bromo-4,6-dinitrophenyl)azo)-2-
ethoxyphenyl)imino)diethyl diacetate ; Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-ethoxyphenyl)- ; Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-4-ethoxyphenyl)- . Disperse blue 79 (CAS NO.12239-34-8) is dark gray uniform powder or granules. It is soluble in acetone .