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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 Mass:
685.61 g/mol
Names and Synonyms:
Pigment Yellow 13
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-
Cromophtal Yellow HG
Pigment Yellow ECY 210
Yellow ECY 210
Irgalite Yellow B 3L
Sunbrite Yellow 13
Symuler Fast Yellow 4306
Seikafast Yellow 2600
Keystone Jet Print Micro Yellow
Sunbrite Yellow 13-275-0049
Hostafine Yellow GR
Vibracolor Yellow PYE 13L
NSC 5336
Unisperse Yellow BAW-PI
Discoall K 6820
Yellow BAW
Microlith Yellow BAW-WA
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide
ZAY 452
Sunbrite Yellow 13-275-0536
Sunbrite Yellow 275-0536
Lionol Yellow 1314
Flexiverse Yellow YFD 1303
PY 13
Sunbright Yellow 13
Permanent Yellow 1148
Benzidine Yellow 13
TCY 1305
C.I. Pigment Yellow 13
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]
C.I. 21100
Benzidine Yellow 20544
Benzidine Yellow GE
Benzidine Yellow GR
Benzidine Yellow Lemon 12221
Dainichi Benzidine Yellow 2GR
Elkon Fast Yellow GR
Helio Fast Yellow GRF
Helio Fast Yellow GRN
Hostaperm Yellow GR
Irgalite Yellow BAW
Irgalite Yellow BAWX
Irgaplast Yellow IRS
Isol Benzidine Fast Yellow GRX
Isol Benzidine Fast Yellow GRX spec
Kromon Yellow GXR
Latexol Fast Yellow JR
Light Yellow JBR
Monolite Fast Yellow GLV
Monolite Yellow GL
Monolite Yellow GLA
Permanent Yellow GR
Pigment Yellow 13
Pigment Yellow MH
Polymo Yellow GR
Recolite Fast Yellow BLF
Recolite Fast Yellow BLT
Rubber Fast Yellow GRA
Sanyo Light Fast Benzidine Yellow R
Saranac Yellow X 2838
Symuler Fast Yellow GRF
Tertropigment Fast Yellow VGR
Tertropigment PGR
Vulcan Fast Yellow GR
Vulcan Fast Yellow GRA
Vulcan Fast Yellow GRN
Vynamon Yellow GRE
Yellow Toner YB 5
Vynamon Yellow GRES
Isol Benzidene Yellow GRX 2548
Diarylide Yellow
Symuler Fast Yellow GRTF
Segnale Light Yellow GRX
Isol Diaryl Yellow GRF
Graphtol Yellow RGS
Sico Fast Yellow D 1355
Permanent Yellow GR 01
Lionol Yellow FG 1310
KET Yellow 405
Disazo Yellow
Sico Fast Yellow D 1351
Irgalite Yellow LBIW
Irgalite Yellow BKW
Lionol Yellow SGR
Unisperse Yellow BP-I
Irgalite Yellow LBG
Irgalite Yellow BGW
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
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 | 685.61 g/mol | CAS Common Chemistry |
| 685.6120000000001 g/mol | RDKit | |
| 684.201858928 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pigment_Yellow_13 | CAS Common Chemistry |
| Canonical SMILES | 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 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=IAFBRPFISOTXSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Yellow 13 | CAS Common Chemistry |
| Heavy Atom Count | 48 | 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 | 10.553079999999992 | RDKit |
| Molar Refractivity | 191.14759999999956 | RDKit |
