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Disperse Blue 79
CAS: 12239-34-8 | C24H27BrN6O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12239-34-8
Molecular Formula:
C24H27BrN6O10
Molecular Mass:
639.42 g/mol
Names and Synonyms:
Disperse Blue 79
Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]-
C.I. Disperse Blue 79
Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]-
p-Acetophenetidide, 5′-[bis(2-hydroxyethyl)amino]-2′-[(2-bromo-4,6-dinitrophenyl)azo]-, diacetate
N-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]acetamide
Samaron Navy Blue G
Foron Navy 2GL
Foron Navy S 2GL
Foron Navy Blue S 2GL
Disperse Blue 79
Eastman Polyester Navy Blue 2R-LSW
Ostacet Navy Blue S-G
Navy Blue 2GL
Disperse Navy Blue 2GL
Disperse Blue 2GL
2-Bromo-4,6-dinitrophenylazo-2-acetamido-4-di-(2-acetoxyethyl)amino-5-ethoxybenzene
2′-Acetylamino-4′-[bis(acetoxyethyl)amino]-6-bromo-2,4-dinitro-5′-ethoxyazobenzene
2-Acetamido-4-[N,N-bis(β-acetoxyethyl)amino]-5-ethoxy-2′-bromo-4′,6′-dinitroazobenzene
Tulasteron Fast Navy Blue 2G-D
Samaron Marine Blue G
Terasil Navy GRL
Foron Navy S 2GLI
Serilene Navy Blue 2GN-LS
C.I. 11345
Miketon Polyester Navy Blue GLSF
Tulasteron Navy Blue 2GDN
Disperse Blue HGL
Dianix Navy S 2G
Disperse Dark Blue HGL
Disperse Deep Blue H-GL
Lonsperse Dark Blue HGL
Disperse Navy Blue HGL
Identifiers:
SMILES:
CCOc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(N=C(C)O)cc1N(CCOC(C)=O)CCOC(C)=O
InChI:
InChI=1S/C24H27BrN6O10/c1-5-39-23-13-20(27-28-24-18(25)10-17(30(35)36)11-22(24)31(37)38)19(26-14(2)32)12-21(23)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32)
Key Properties
Melting Point
157 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 639.42 g/mol | CAS Common Chemistry |
| 639.4160000000002 g/mol | RDKit | |
| 638.097203164 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2N(=O)=O)N(=O)=O)C=C1OCC)CCOC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H27BrN6O10/c1-5-39-23-13-20(27-28-24-18(25)10-17(30(35)36)11-22(24)31(37)38)19(26-14(2)32)12-21(23)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32) | CAS Common Chemistry |
| InChI Key | InChIKey=VQIRFOAILLIZOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 157 °C | CAS Common Chemistry |
| Name | Disperse Blue 79 | CAS Common Chemistry |
| Heavy Atom Count | 41 | RDKit |
| Hydrogen Bond Acceptors | 13 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 208.66 Ų | RDKit |
| LogP | 5.620100000000006 | RDKit |
| Molar Refractivity | 150.1145999999998 | RDKit |
