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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 Weight:
629.5040000000001 g/mol
Names and Synonyms:
Pigment Yellow 12
Lionol Yellow TCH 1205
Symuler Fast Yellow GF conc.
PY 12
Permanent Yellow DHG-CN 09
Benzidine Yellow 12
Laibo 178-1
DY 728
Pigment Yellow FG
Lionol Yellow TT 1206
Pigment Yellow GRT
Sanyo Pigment Yellow GRT
Lionol Yellow 2RN
Lionol Yellow 1235P
Lionol Yellow 1243P
Lionol Yellow 1245P
Lutetia Yellow 2JRST
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-N-phenylbutanamide
NSC 521237
Symuler Fast Yellow PDGF 138
Symuler Fast Yellow GTF 219
Sunbrite Yellow 273-3556
Sunbrite Yellow AAA
Sun Yellow AAA
EP 500
Lionol Yellow SS-OW
Benzidine Yellow 1316
Lionol Yellow GGT
Diarylide Yellow AAA
Seikafast Yellow 7055
Lionol Yellow 1206
Disazo Yellow
Benzyl Yellow G
KET Yellow 406
Lionol Yellow GR
Permanent Yellow DHG 80
Seikafast Yellow H 7055
Diarylide Yellow
Sumikaprint Yellow 3A-O
Japan Yellow No. 205
Yellow No. 205
Japan Yellow 205
Yellow 205
Diarylide Yellow AAMX
Segnale Yellow HG
Seikafast Yellow 2300
Symuler Fast Yellow 224
Symuler Fast Yellow 219
Symuler Fast Yellow 4078
Benzidine Yellow AAA
Benzidine Yellow YB 5722
Benzidine Yellow 1178
Isol Benzidine Yellow G 2537
Permanent Yellow GHG
Graphtol Yellow A-HG
Diarylide Yellow YT 553D
Pigment Yellow 12
Benzidine Yellow
Monolite Yellow GTS
Vulcol Fast Yellow GR
Vulcafor Fast Yellow GTA
Vulcafor Fast Yellow GT
Verona Yellow X 1791
Symuler Fast Yellow GF
Siloton Yellow GTX
Siloton Yellow 3GX
Segnale Light Yellow 2GRT
Segnale Light Yellow 2GR
Sanyo Benzidine Yellow B
Recolite Yellow BGT
Recolite Yellow BG
Rangoon Yellow
Pigment Yellow GT
Permanent Yellow DHG
Monolite Yellow GTNA
Monolite Yellow GTN
Monolite Yellow GTA
Monolite Yellow GT
Monolite Yellow GRA
Monolite Yellow 2GRA
Lodestone Yellow YB 57
Light Yellow JBT
Light Yellow JBO
Light Yellow JB
Kromon Yellow MTB
Kromon Yellow GXT Conc
Isol Benzidine Yellow G Special
Isol Benzidine Yellow G
Irgalite Yellow BTR
Irgalite Yellow BST
Irgalite Yellow BO
Helio Yellow GWN
Helio Yellow GW
Hancock Yellow 10010
Eljon Yellow BG
Daltolite Fast Yellow GT
Dainichi Benzidine Yellow GYT
Dainichi Benzidine Yellow GY
Dainichi Benzidine Yellow GT
Dainichi Benzidine Yellow GRT
Dainichi Benzidine Yellow G
Carnelio Yellow GX
Brilliant Yellow Slurry
Bis(acetyl-N-phenylcarbamylmethyl)-4,4′-disazo-3,3′-dichlorobiphenyl
Benzidine Yellow Toner YT 378
Benzidine Yellow Toner YA 8081
Benzidine Yellow Toner
Benzidine Yellow G
Benzidine Yellow HG-Plv
Benzidine Yellow HG
Benzidine Yellow GTR
Benzidine Yellow GT
Benzidine Yellow GF
Benzidine Yellow 45-2680
Benzidine Yellow 45-2685
Benzidine Yellow 45-2650
Benzidine Yellow E
Benzidine Lacquer Yellow G
Amazon Yellow X 2485
C.I. 21090
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenylbutanamide]
Acetoacetanilide, 2,2′′-(3,3′-dichloro-4,4′-biphenylylenebisazo)bis-
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-N-phenyl-
C.I. Pigment Yellow 12
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl-
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)
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 | 629.50 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Pigment_Yellow_12 None | Legacy Database |
| cas-canonical-smile | 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 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=GNCOVOVCHIHPHP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 320 °C None | Legacy Database |
| cas-name | Pigment Yellow 12 None | Legacy Database |
| wikipedia-name | Pigment Yellow 12 None | Legacy Database |
| LogP | 9.3194 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 629.5040000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 628.139258672 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 44 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 11 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 148.76 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 172.19959999999966 | RDKit |
