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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
Names and Synonyms:
Pigment Yellow 12
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl-
C.I. Pigment Yellow 12
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-N-phenyl-
Acetoacetanilide, 2,2′′-(3,3′-dichloro-4,4′-biphenylylenebisazo)bis-
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenylbutanamide]
C.I. 21090
Amazon Yellow X 2485
Benzidine Lacquer Yellow G
Benzidine Yellow E
Benzidine Yellow 45-2650
Benzidine Yellow 45-2685
Benzidine Yellow 45-2680
Benzidine Yellow GF
Benzidine Yellow GT
Benzidine Yellow GTR
Benzidine Yellow HG
Benzidine Yellow HG-Plv
Benzidine Yellow G
Benzidine Yellow Toner
Benzidine Yellow Toner YA 8081
Benzidine Yellow Toner YT 378
Bis(acetyl-N-phenylcarbamylmethyl)-4,4′-disazo-3,3′-dichlorobiphenyl
Brilliant Yellow Slurry
Carnelio Yellow GX
Dainichi Benzidine Yellow G
Dainichi Benzidine Yellow GRT
Dainichi Benzidine Yellow GT
Dainichi Benzidine Yellow GY
Dainichi Benzidine Yellow GYT
Daltolite Fast Yellow GT
Eljon Yellow BG
Hancock Yellow 10010
Helio Yellow GW
Helio Yellow GWN
Irgalite Yellow BO
Irgalite Yellow BST
Irgalite Yellow BTR
Isol Benzidine Yellow G
Isol Benzidine Yellow G Special
Kromon Yellow GXT Conc
Kromon Yellow MTB
Light Yellow JB
Light Yellow JBO
Light Yellow JBT
Lodestone Yellow YB 57
Monolite Yellow 2GRA
Monolite Yellow GRA
Monolite Yellow GT
Monolite Yellow GTA
Monolite Yellow GTN
Monolite Yellow GTNA
Permanent Yellow DHG
Pigment Yellow GT
Rangoon Yellow
Recolite Yellow BG
Recolite Yellow BGT
Sanyo Benzidine Yellow B
Segnale Light Yellow 2GR
Segnale Light Yellow 2GRT
Siloton Yellow 3GX
Siloton Yellow GTX
Symuler Fast Yellow GF
Verona Yellow X 1791
Vulcafor Fast Yellow GT
Vulcafor Fast Yellow GTA
Vulcol Fast Yellow GR
Monolite Yellow GTS
Benzidine Yellow
Pigment Yellow 12
Diarylide Yellow YT 553D
Graphtol Yellow A-HG
Permanent Yellow GHG
Isol Benzidine Yellow G 2537
Benzidine Yellow 1178
Benzidine Yellow YB 5722
Benzidine Yellow AAA
Symuler Fast Yellow 4078
Symuler Fast Yellow 219
Symuler Fast Yellow 224
Seikafast Yellow 2300
Segnale Yellow HG
Diarylide Yellow AAMX
Yellow 205
Japan Yellow 205
Yellow No. 205
Japan Yellow No. 205
Sumikaprint Yellow 3A-O
Diarylide Yellow
Seikafast Yellow H 7055
Permanent Yellow DHG 80
Lionol Yellow GR
KET Yellow 406
Benzyl Yellow G
Disazo Yellow
Lionol Yellow 1206
Seikafast Yellow 7055
Diarylide Yellow AAA
Lionol Yellow GGT
Benzidine Yellow 1316
Lionol Yellow SS-OW
EP 500
Sun Yellow AAA
Sunbrite Yellow AAA
Sunbrite Yellow 273-3556
Symuler Fast Yellow GTF 219
Symuler Fast Yellow PDGF 138
NSC 521237
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-N-phenylbutanamide
Lutetia Yellow 2JRST
Lionol Yellow 1245P
Lionol Yellow 1243P
Lionol Yellow 1235P
Lionol Yellow 2RN
Sanyo Pigment Yellow GRT
Pigment Yellow GRT
Lionol Yellow TT 1206
Pigment Yellow FG
DY 728
Laibo 178-1
Benzidine Yellow 12
Permanent Yellow DHG-CN 09
PY 12
Symuler Fast Yellow GF conc.
Lionol Yellow TCH 1205
Identifiers:
SMILES:
CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(O)=Nc3ccccc3)c(Cl)c2)cc1Cl)C(O)=Nc1ccccc1
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)
Key Properties
Melting Point
320 °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 | 629.50 g/mol | CAS Common Chemistry |
| 629.5040000000001 g/mol | RDKit | |
| 628.139258672 g/mol | RDKit | |
| 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 | RDKit |
