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Pigment Yellow 17
CAS: 4531-49-1 | C34H30Cl2N6O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4531-49-1
Molecular Formula:
C34H30Cl2N6O6
Molecular Mass:
689.56 g/mol
Names and Synonyms:
Pigment Yellow 17
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxo-
C.I. Pigment Yellow 17
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxo-
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxobutanamide]
C.I. 21105
Benzidine Yellow T 45-2460
Benzidine Yellow 27964
Benzidine Yellow GG
Bis[acetyl-N-(o-methoxyphenyl)carbamoylmethyl]-4,4′-bis(azo)-3,3′-dichlorobiphenyl
Bis[acetyl-N-(o-methoxyphenyl)carbamoylmethyl]-4,4′-diazo-3,3′-dichlorobiphenyl
Eljon Fast Yellow 2G
Helio Fast Yellow GGF
Helio Fast Yellow GGN
Isol Benzidine Fast Yellow GG
Isol Benzidine Fast Yellow GGF
Lightfast Benzidine Yellow Lemon 12220
Majestic Yellow X 2600
Majestic Yellow LO-X 2882
Monolite Yellow 2GL
Monolite Yellow 2GLA
PV-Yellow GG
Recolite Fast Yellow B 2A
Segnale Light Yellow 2G
Symuler Fast Yellow 8GF
Permanent Yellow GG
Yellow 3G
Lemon Metallic Yellow
2,2′′-[(3,3′-Dichloro-4,4′-biphenylylene)bis(azo)]bis[o-acetoacetanisidide]
Symuler Fast Yellow 8GTF
Yellow Clear K
Pigment Transparent Yellow K
Seikafast Yellow 2400
Pigment Yellow 17
Diarylide Yellow X 2600
Lionol Yellow FGN
Microlith Yellow 2G-T
Permanent Yellow GG Extra
KET Yellow 403
Sumikaprint Fast Yellow GBFN
Permanent Yellow GG 02
EB Yellow 2GN conc 7580
Disazo Yellow 8G
Symuler Fast Yellow 8GR
Seikafast Yellow 19
Seikafast Yellow 2400B
Sunsperse Yellow YHD 9439
Sunbrite Yellow 17
Aquarine Yellow 3G
Flexiverse Yellow 17
ECY 215
ECY 201
YFD 4249
Graphtol Yellow GG
Lionol Yellow 1703
Hostaprint Yellow GG 32
Permanent Yellow 8GTS
Lionol Yellow TT 1703
PY 17
Identifiers:
SMILES:
COc1ccccc1N=C(O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(O)=Nc3ccccc3OC)c(Cl)c2)cc1Cl)C(C)=O
InChI:
InChI=1S/C34H30Cl2N6O6/c1-19(43)31(33(45)37-27-9-5-7-11-29(27)47-3)41-39-25-15-13-21(17-23(25)35)22-14-16-26(24(36)18-22)40-42-32(20(2)44)34(46)38-28-10-6-8-12-30(28)48-4/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
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 | 689.56 g/mol | CAS Common Chemistry |
| 689.556 g/mol | RDKit | |
| 688.16038804 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1OC)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4OC)C(=O)C)C(Cl)=C3)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C34H30Cl2N6O6/c1-19(43)31(33(45)37-27-9-5-7-11-29(27)47-3)41-39-25-15-13-21(17-23(25)35)22-14-16-26(24(36)18-22)40-42-32(20(2)44)34(46)38-28-10-6-8-12-30(28)48-4/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46) | CAS Common Chemistry |
| InChI Key | InChIKey=VTGOEJALMFECDQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Yellow 17 | CAS Common Chemistry |
| Heavy Atom Count | 48 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 167.21999999999994 Ų | RDKit |
| LogP | 9.336599999999999 | RDKit |
| Molar Refractivity | 185.30359999999968 | RDKit |
