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Molecule
Pigment Yellow 17
CAS: 4531-49-1 · C34H30Cl2N6O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4531-49-1
- Molecular Formula
- C34H30Cl2N6O6
- Molecular Mass
- 689.56 g/mol
Identifiers
CAS Registry Number
4531-49-1
SMILES
COc1ccccc1N=C(O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(O)=Nc3ccccc3OC)c(Cl)c2)cc1Cl)C(C)=O
InChI Key
VTGOEJALMFECDQ-UHFFFAOYSA-N
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)
Names and Synonyms
- Pigment Yellow 17 Common Name
- Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxo- Synonym
- C.I. Pigment Yellow 17 Synonym
- Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxo- Synonym
- 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxobutanamide] Synonym
- C.I. 21105 Synonym
- Benzidine Yellow T 45-2460 Synonym
- Benzidine Yellow 27964 Synonym
- Benzidine Yellow GG Synonym
- Bis[acetyl-N-(o-methoxyphenyl)carbamoylmethyl]-4,4′-bis(azo)-3,3′-dichlorobiphenyl Synonym
- Bis[acetyl-N-(o-methoxyphenyl)carbamoylmethyl]-4,4′-diazo-3,3′-dichlorobiphenyl Synonym
- Eljon Fast Yellow 2G Synonym
- Helio Fast Yellow GGF Synonym
- Helio Fast Yellow GGN Synonym
- Isol Benzidine Fast Yellow GG Synonym
- Isol Benzidine Fast Yellow GGF Synonym
- Lightfast Benzidine Yellow Lemon 12220 Synonym
- Majestic Yellow X 2600 Synonym
- Majestic Yellow LO-X 2882 Synonym
- Monolite Yellow 2GL Synonym
- Monolite Yellow 2GLA Synonym
- PV-Yellow GG Synonym
- Recolite Fast Yellow B 2A Synonym
- Segnale Light Yellow 2G Synonym
- Symuler Fast Yellow 8GF Synonym
- Permanent Yellow GG Synonym
- Yellow 3G Synonym
- Lemon Metallic Yellow Synonym
- 2,2′′-[(3,3′-Dichloro-4,4′-biphenylylene)bis(azo)]bis[o-acetoacetanisidide] Synonym
- Symuler Fast Yellow 8GTF Synonym
- Yellow Clear K Synonym
- Pigment Transparent Yellow K Synonym
- Seikafast Yellow 2400 Synonym
- Pigment Yellow 17 Synonym
- Diarylide Yellow X 2600 Synonym
- Lionol Yellow FGN Synonym
- Microlith Yellow 2G-T Synonym
- Permanent Yellow GG Extra Synonym
- KET Yellow 403 Synonym
- Sumikaprint Fast Yellow GBFN Synonym
- Permanent Yellow GG 02 Synonym
- EB Yellow 2GN conc 7580 Synonym
- Disazo Yellow 8G Synonym
- Symuler Fast Yellow 8GR Synonym
- Seikafast Yellow 19 Synonym
- Seikafast Yellow 2400B Synonym
- Sunsperse Yellow YHD 9439 Synonym
- Sunbrite Yellow 17 Synonym
- Aquarine Yellow 3G Synonym
- Flexiverse Yellow 17 Synonym
- ECY 215 Synonym
- ECY 201 Synonym
- YFD 4249 Synonym
- Graphtol Yellow GG Synonym
- Lionol Yellow 1703 Synonym
- Hostaprint Yellow GG 32 Synonym
- Permanent Yellow 8GTS Synonym
- Lionol Yellow TT 1703 Synonym
- PY 17 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 689.56 g/mol | CAS Common Chemistry |
| 689.556 g/mol | RDKit | |
| 689.55 g/mol | chempirical lib | |
| 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 |
| 167.22 Ų | RDKit | |
| LogP | 9.336599999999999 | RDKit |
| 9.3366 | RDKit | |
| Molar Refractivity | 185.30359999999968 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 688.16038804 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 689.56 g/mol. Edit any field — others recompute live.
