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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

Identifiers

CAS Registry Number

5102-83-0

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 Key

IAFBRPFISOTXSO-UHFFFAOYSA-N

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)

Names and Synonyms

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

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 685.61 g/mol CAS Common Chemistry
685.6120000000001 g/mol RDKit
685.612 g/mol RDKit
685.606 g/mol chempirical lib
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
10.5531 RDKit
Molar Refractivity 191.14759999999956 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.2222 RDKit
0.22 chempirical lib
Exact Mass 684.201858928 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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