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Pigment Yellow 13
CAS: 5102-83-0 | C36H34Cl2N6O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5102-83-0
Molecular Formula:
C36H34Cl2N6O4
Molecular Weight:
685.6120000000001 g/mol
Names and Synonyms:
Pigment Yellow 13
Common Name
Irgalite Yellow BGW
Synonym
Irgalite Yellow LBG
Synonym
Unisperse Yellow BP-I
Synonym
Lionol Yellow SGR
Synonym
Irgalite Yellow BKW
Synonym
Irgalite Yellow LBIW
Synonym
Sico Fast Yellow D 1351
Synonym
Disazo Yellow
Synonym
KET Yellow 405
Synonym
Lionol Yellow FG 1310
Synonym
Permanent Yellow GR 01
Synonym
Sico Fast Yellow D 1355
Synonym
Graphtol Yellow RGS
Synonym
Isol Diaryl Yellow GRF
Synonym
Segnale Light Yellow GRX
Synonym
Symuler Fast Yellow GRTF
Synonym
Diarylide Yellow
Synonym
Isol Benzidene Yellow GRX 2548
Synonym
Vynamon Yellow GRES
Synonym
Yellow Toner YB 5
Synonym
Vynamon Yellow GRE
Synonym
Vulcan Fast Yellow GRN
Synonym
Vulcan Fast Yellow GRA
Synonym
Vulcan Fast Yellow GR
Synonym
Tertropigment PGR
Synonym
Tertropigment Fast Yellow VGR
Synonym
Symuler Fast Yellow GRF
Synonym
Saranac Yellow X 2838
Synonym
Sanyo Light Fast Benzidine Yellow R
Synonym
Rubber Fast Yellow GRA
Synonym
Recolite Fast Yellow BLT
Synonym
Recolite Fast Yellow BLF
Synonym
Polymo Yellow GR
Synonym
Pigment Yellow MH
Synonym
Pigment Yellow 13
Synonym
Permanent Yellow GR
Synonym
Monolite Yellow GLA
Synonym
Monolite Yellow GL
Synonym
Monolite Fast Yellow GLV
Synonym
Light Yellow JBR
Synonym
Latexol Fast Yellow JR
Synonym
Kromon Yellow GXR
Synonym
Isol Benzidine Fast Yellow GRX spec
Synonym
Isol Benzidine Fast Yellow GRX
Synonym
Irgaplast Yellow IRS
Synonym
Irgalite Yellow BAWX
Synonym
Irgalite Yellow BAW
Synonym
Hostaperm Yellow GR
Synonym
Helio Fast Yellow GRN
Synonym
Helio Fast Yellow GRF
Synonym
Elkon Fast Yellow GR
Synonym
Dainichi Benzidine Yellow 2GR
Synonym
Benzidine Yellow Lemon 12221
Synonym
Benzidine Yellow GR
Synonym
Benzidine Yellow GE
Synonym
Benzidine Yellow 20544
Synonym
C.I. 21100
Synonym
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]
Synonym
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-
Synonym
C.I. Pigment Yellow 13
Synonym
TCY 1305
Synonym
Benzidine Yellow 13
Synonym
Permanent Yellow 1148
Synonym
Sunbright Yellow 13
Synonym
PY 13
Synonym
Flexiverse Yellow YFD 1303
Synonym
Lionol Yellow 1314
Synonym
Sunbrite Yellow 275-0536
Synonym
Sunbrite Yellow 13-275-0536
Synonym
ZAY 452
Synonym
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide
Synonym
Microlith Yellow BAW-WA
Synonym
Yellow BAW
Synonym
Discoall K 6820
Synonym
Unisperse Yellow BAW-PI
Synonym
NSC 5336
Synonym
Vibracolor Yellow PYE 13L
Synonym
Hostafine Yellow GR
Synonym
Sunbrite Yellow 13-275-0049
Synonym
Keystone Jet Print Micro Yellow
Synonym
Seikafast Yellow 2600
Synonym
Symuler Fast Yellow 4306
Synonym
Sunbrite Yellow 13
Synonym
Irgalite Yellow B 3L
Synonym
Yellow ECY 210
Synonym
Pigment Yellow ECY 210
Synonym
Cromophtal Yellow HG
Synonym
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-
Synonym
Identifiers:
SMILES:
CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(O)=Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(O)=Nc1ccc(C)cc1C
InChI:
InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 685.61 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Pigment_Yellow_13 None | Legacy Database |
| cas-canonical-smile | O=C(NC1=CC=C(C=C1C)C)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC4=CC=C(C=C4C)C)C(=O)C)C(Cl)=C3)C(=O)C None | Legacy Database |
| cas-inchi | InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48) None | Legacy Database |
| cas-inchi-key | InChIKey=IAFBRPFISOTXSO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Yellow 13 None | Legacy Database |
| wikipedia-name | Pigment Yellow 13 None | Legacy Database |
| LogP | 10.553079999999992 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 685.6120000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 684.201858928 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 48 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 | 191.14759999999956 | RDKit |