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Molecule
Pigment Yellow 12
CAS: 6358-85-6 · C32H26Cl2N6O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6358-85-6
- Molecular Formula
- C32H26Cl2N6O4
- Molecular Mass
- 629.50 g/mol
Identifiers
CAS Registry Number
6358-85-6
SMILES
CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(O)=Nc3ccccc3)c(Cl)c2)cc1Cl)C(O)=Nc1ccccc1
InChI Key
GNCOVOVCHIHPHP-UHFFFAOYSA-N
InChI
InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)
Names and Synonyms
- Pigment Yellow 12 Common Name
- Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl- Synonym
- C.I. Pigment Yellow 12 Synonym
- Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-N-phenyl- Synonym
- Acetoacetanilide, 2,2′′-(3,3′-dichloro-4,4′-biphenylylenebisazo)bis- Synonym
- 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenylbutanamide] Synonym
- C.I. 21090 Synonym
- Amazon Yellow X 2485 Synonym
- Benzidine Lacquer Yellow G Synonym
- Benzidine Yellow E Synonym
- Benzidine Yellow 45-2650 Synonym
- Benzidine Yellow 45-2685 Synonym
- Benzidine Yellow 45-2680 Synonym
- Benzidine Yellow GF Synonym
- Benzidine Yellow GT Synonym
- Benzidine Yellow GTR Synonym
- Benzidine Yellow HG Synonym
- Benzidine Yellow HG-Plv Synonym
- Benzidine Yellow G Synonym
- Benzidine Yellow Toner Synonym
- Benzidine Yellow Toner YA 8081 Synonym
- Benzidine Yellow Toner YT 378 Synonym
- Bis(acetyl-N-phenylcarbamylmethyl)-4,4′-disazo-3,3′-dichlorobiphenyl Synonym
- Brilliant Yellow Slurry Synonym
- Carnelio Yellow GX Synonym
- Dainichi Benzidine Yellow G Synonym
- Dainichi Benzidine Yellow GRT Synonym
- Dainichi Benzidine Yellow GT Synonym
- Dainichi Benzidine Yellow GY Synonym
- Dainichi Benzidine Yellow GYT Synonym
- Daltolite Fast Yellow GT Synonym
- Eljon Yellow BG Synonym
- Hancock Yellow 10010 Synonym
- Helio Yellow GW Synonym
- Helio Yellow GWN Synonym
- Irgalite Yellow BO Synonym
- Irgalite Yellow BST Synonym
- Irgalite Yellow BTR Synonym
- Isol Benzidine Yellow G Synonym
- Isol Benzidine Yellow G Special Synonym
- Kromon Yellow GXT Conc Synonym
- Kromon Yellow MTB Synonym
- Light Yellow JB Synonym
- Light Yellow JBO Synonym
- Light Yellow JBT Synonym
- Lodestone Yellow YB 57 Synonym
- Monolite Yellow 2GRA Synonym
- Monolite Yellow GRA Synonym
- Monolite Yellow GT Synonym
- Monolite Yellow GTA Synonym
- Monolite Yellow GTN Synonym
- Monolite Yellow GTNA Synonym
- Permanent Yellow DHG Synonym
- Pigment Yellow GT Synonym
- Rangoon Yellow Synonym
- Recolite Yellow BG Synonym
- Recolite Yellow BGT Synonym
- Sanyo Benzidine Yellow B Synonym
- Segnale Light Yellow 2GR Synonym
- Segnale Light Yellow 2GRT Synonym
- Siloton Yellow 3GX Synonym
- Siloton Yellow GTX Synonym
- Symuler Fast Yellow GF Synonym
- Verona Yellow X 1791 Synonym
- Vulcafor Fast Yellow GT Synonym
- Vulcafor Fast Yellow GTA Synonym
- Vulcol Fast Yellow GR Synonym
- Monolite Yellow GTS Synonym
- Benzidine Yellow Synonym
- Pigment Yellow 12 Synonym
- Diarylide Yellow YT 553D Synonym
- Graphtol Yellow A-HG Synonym
- Permanent Yellow GHG Synonym
- Isol Benzidine Yellow G 2537 Synonym
- Benzidine Yellow 1178 Synonym
- Benzidine Yellow YB 5722 Synonym
- Benzidine Yellow AAA Synonym
- Symuler Fast Yellow 4078 Synonym
- Symuler Fast Yellow 219 Synonym
- Symuler Fast Yellow 224 Synonym
- Seikafast Yellow 2300 Synonym
- Segnale Yellow HG Synonym
- Diarylide Yellow AAMX Synonym
- Yellow 205 Synonym
- Japan Yellow 205 Synonym
- Yellow No. 205 Synonym
- Japan Yellow No. 205 Synonym
- Sumikaprint Yellow 3A-O Synonym
- Diarylide Yellow Synonym
- Seikafast Yellow H 7055 Synonym
- Permanent Yellow DHG 80 Synonym
- Lionol Yellow GR Synonym
- KET Yellow 406 Synonym
- Benzyl Yellow G Synonym
- Disazo Yellow Synonym
- Lionol Yellow 1206 Synonym
- Seikafast Yellow 7055 Synonym
- Diarylide Yellow AAA Synonym
- Lionol Yellow GGT Synonym
- Benzidine Yellow 1316 Synonym
- Lionol Yellow SS-OW Synonym
- EP 500 Synonym
- Sun Yellow AAA Synonym
- Sunbrite Yellow AAA Synonym
- Sunbrite Yellow 273-3556 Synonym
- Symuler Fast Yellow GTF 219 Synonym
- Symuler Fast Yellow PDGF 138 Synonym
- NSC 521237 Synonym
- 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-N-phenylbutanamide Synonym
- Lutetia Yellow 2JRST Synonym
- Lionol Yellow 1245P Synonym
- Lionol Yellow 1243P Synonym
- Lionol Yellow 1235P Synonym
- Lionol Yellow 2RN Synonym
- Sanyo Pigment Yellow GRT Synonym
- Pigment Yellow GRT Synonym
- Lionol Yellow TT 1206 Synonym
- Pigment Yellow FG Synonym
- DY 728 Synonym
- Laibo 178-1 Synonym
- Benzidine Yellow 12 Synonym
- Permanent Yellow DHG-CN 09 Synonym
- PY 12 Synonym
- Symuler Fast Yellow GF conc. Synonym
- Lionol Yellow TCH 1205 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 629.50 g/mol | CAS Common Chemistry |
| 629.5040000000001 g/mol | RDKit | |
| 629.504 g/mol | RDKit | |
| 629.498 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pigment_Yellow_12 | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4)C(=O)C)C(Cl)=C3)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44) | CAS Common Chemistry |
| InChI Key | InChIKey=GNCOVOVCHIHPHP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 320 °C | CAS Common Chemistry |
| Name | Pigment Yellow 12 | CAS Common Chemistry |
| Heavy Atom Count | 44 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 148.76 Ų | RDKit |
| LogP | 9.3194 | RDKit |
| Molar Refractivity | 172.19959999999966 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 628.139258672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 629.50 g/mol. Edit any field — others recompute live.
