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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
Irgalite Yellow BGW
Irgalite Yellow LBG
Unisperse Yellow BP-I
Lionol Yellow SGR
Irgalite Yellow BKW
Irgalite Yellow LBIW
Sico Fast Yellow D 1351
Disazo Yellow
KET Yellow 405
Lionol Yellow FG 1310
Permanent Yellow GR 01
Sico Fast Yellow D 1355
Graphtol Yellow RGS
Isol Diaryl Yellow GRF
Segnale Light Yellow GRX
Symuler Fast Yellow GRTF
Diarylide Yellow
Isol Benzidene Yellow GRX 2548
Vynamon Yellow GRES
Yellow Toner YB 5
Vynamon Yellow GRE
Vulcan Fast Yellow GRN
Vulcan Fast Yellow GRA
Vulcan Fast Yellow GR
Tertropigment PGR
Tertropigment Fast Yellow VGR
Symuler Fast Yellow GRF
Saranac Yellow X 2838
Sanyo Light Fast Benzidine Yellow R
Rubber Fast Yellow GRA
Recolite Fast Yellow BLT
Recolite Fast Yellow BLF
Polymo Yellow GR
Pigment Yellow MH
Pigment Yellow 13
Permanent Yellow GR
Monolite Yellow GLA
Monolite Yellow GL
Monolite Fast Yellow GLV
Light Yellow JBR
Latexol Fast Yellow JR
Kromon Yellow GXR
Isol Benzidine Fast Yellow GRX spec
Isol Benzidine Fast Yellow GRX
Irgaplast Yellow IRS
Irgalite Yellow BAWX
Irgalite Yellow BAW
Hostaperm Yellow GR
Helio Fast Yellow GRN
Helio Fast Yellow GRF
Elkon Fast Yellow GR
Dainichi Benzidine Yellow 2GR
Benzidine Yellow Lemon 12221
Benzidine Yellow GR
Benzidine Yellow GE
Benzidine Yellow 20544
C.I. 21100
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-
C.I. Pigment Yellow 13
TCY 1305
Benzidine Yellow 13
Permanent Yellow 1148
Sunbright Yellow 13
PY 13
Flexiverse Yellow YFD 1303
Lionol Yellow 1314
Sunbrite Yellow 275-0536
Sunbrite Yellow 13-275-0536
ZAY 452
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide
Microlith Yellow BAW-WA
Yellow BAW
Discoall K 6820
Unisperse Yellow BAW-PI
NSC 5336
Vibracolor Yellow PYE 13L
Hostafine Yellow GR
Sunbrite Yellow 13-275-0049
Keystone Jet Print Micro Yellow
Seikafast Yellow 2600
Symuler Fast Yellow 4306
Sunbrite Yellow 13
Irgalite Yellow B 3L
Yellow ECY 210
Pigment Yellow ECY 210
Cromophtal Yellow HG
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 10.553079999999992 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 191.14759999999956 | RDKit |
