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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 Weight:
689.556 g/mol
Names and Synonyms:
Pigment Yellow 17
EB Yellow 2GN conc 7580
Permanent Yellow GG 02
Sumikaprint Fast Yellow GBFN
KET Yellow 403
Permanent Yellow GG Extra
Microlith Yellow 2G-T
Lionol Yellow FGN
Diarylide Yellow X 2600
Pigment Yellow 17
Seikafast Yellow 2400
Pigment Transparent Yellow K
Yellow Clear K
Symuler Fast Yellow 8GTF
2,2′′-[(3,3′-Dichloro-4,4′-biphenylylene)bis(azo)]bis[o-acetoacetanisidide]
Lemon Metallic Yellow
Yellow 3G
Permanent Yellow GG
Symuler Fast Yellow 8GF
Segnale Light Yellow 2G
Recolite Fast Yellow B 2A
PV-Yellow GG
Monolite Yellow 2GLA
Monolite Yellow 2GL
Majestic Yellow LO-X 2882
Majestic Yellow X 2600
Lightfast Benzidine Yellow Lemon 12220
Isol Benzidine Fast Yellow GGF
Isol Benzidine Fast Yellow GG
Helio Fast Yellow GGN
Helio Fast Yellow GGF
Eljon Fast Yellow 2G
Bis[acetyl-N-(o-methoxyphenyl)carbamoylmethyl]-4,4′-diazo-3,3′-dichlorobiphenyl
Bis[acetyl-N-(o-methoxyphenyl)carbamoylmethyl]-4,4′-bis(azo)-3,3′-dichlorobiphenyl
Benzidine Yellow GG
Benzidine Yellow 27964
Benzidine Yellow T 45-2460
C.I. 21105
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxobutanamide]
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxo-
C.I. 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-
PY 17
Lionol Yellow TT 1703
Permanent Yellow 8GTS
Hostaprint Yellow GG 32
Lionol Yellow 1703
Graphtol Yellow GG
YFD 4249
ECY 201
ECY 215
Flexiverse Yellow 17
Aquarine Yellow 3G
Sunbrite Yellow 17
Sunsperse Yellow YHD 9439
Seikafast Yellow 2400B
Seikafast Yellow 19
Symuler Fast Yellow 8GR
Disazo Yellow 8G
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 689.56 g/mol | Legacy Database |
| cas-canonical-smile | 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 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=VTGOEJALMFECDQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Yellow 17 None | Legacy Database |
| LogP | 9.336599999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 689.556 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 688.16038804 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 48 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 10 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 13 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 167.21999999999994 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 185.30359999999968 | RDKit |
