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Molecule

Pigment Orange 13

CAS: 3520-72-7 · C32H24Cl2N8O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
3520-72-7
Molecular Formula
C32H24Cl2N8O2
Molecular Mass
623.50 g/mol

Identifiers

CAS Registry Number

3520-72-7

SMILES

CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccccc4)N=C3C)c(Cl)c2)cc1Cl

InChI Key

HKYYDLYCGBDWSB-UHFFFAOYSA-N

InChI

InChI=1S/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,29-30H,1-2H3

Names and Synonyms

  • Pigment Orange 13 Synonym
  • Irgalite Orange PG Synonym
  • Irgalite Orange PX Synonym
  • Irgaplast Orange G Synonym
  • Kromon Orange G Synonym
  • Latexol Fast Orange J Synonym
  • Lutetia Orange J Synonym
  • Monolite Fast Orange G Synonym
  • Monolite Fast Orange GA Synonym
  • Monolite Fast Paper Orange G Synonym
  • No. 56 Conc. Permanent Orange G Synonym
  • No. 59 Forthfast Benzidine Yellow Synonym
  • Oralith Orange PG Synonym
  • Oswego Orange X 2065 Synonym
  • Permanent Orange G Synonym
  • Permanent Orange G extra Synonym
  • Pigment Fast Orange G Synonym
  • Pigment Orange G Synonym
  • Pigment Orange ERH Synonym
  • Plastol Orange G Synonym
  • Polymo Orange GR Synonym
  • Ponolith Orange Y Synonym
  • PV-Orange G Synonym
  • Pyrazalone Orange NP 215 Synonym
  • Pyrazolone Orange YB 3 Synonym
  • Recolite Orange G Synonym
  • Resamine Fast Orange G Synonym
  • Sanyo Benzidine Orange Synonym
  • Segnale Light Orange G Synonym
  • Segnale Light Orange PG Synonym
  • Siegle Orange S Synonym
  • Silogomma Orange G Synonym
  • Silotermo Orange G Synonym
  • Siloton Orange GT Synonym
  • Symuler Fast Pyrazolone Orange G Synonym
  • Syton Fast Orange G Synonym
  • Tertropigment Orange PG Synonym
  • Vulcafix Orange J Synonym
  • Vulcafix Orange JV Synonym
  • Vulcafor Fast Orange G Synonym
  • Vulcafor Fast Orange GA Synonym
  • Vulcan Fast Orange G Synonym
  • Vulcan Fast Orange GA Synonym
  • Vulcan Fast Orange GN Synonym
  • Vulcol Fast Orange G Synonym
  • Vynamon Orange G Synonym
  • Pigment Orange Zh Synonym
  • Diarylide Orange Synonym
  • Irgalite Orange P Synonym
  • Benzidine Orange G Synonym
  • Pergantine Orange G-LA Synonym
  • Pigment Orange 13 Synonym
  • KET Orange 501 Synonym
  • Poloprint Orange G Synonym
  • Seikafast Orange 900 Synonym
  • DCC 1802 Synonym
  • Fastona Orange 13 Synonym
  • Sanyo Pigment Orange Pure Synonym
  • Japan Orange 204 Synonym
  • Lionol Orange B Synonym
  • Disazo Orange PMP Synonym
  • Orange No. 204 Synonym
  • Flexonyl Orange G 100 Synonym
  • GSR 1151 Synonym
  • Sunbrite Orange 13 Synonym
  • PO 13 Synonym
  • Graphtol Orange GPS Synonym
  • 3H-Pyrazol-3-one, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[2,4-dihydro-5-methyl-2-phenyl- Synonym
  • C.I. Pigment Orange 13 Synonym
  • Benzidine Orange Synonym
  • 3H-Pyrazol-3-one, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl- Synonym
  • 4,4′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one] Synonym
  • C.I. 21110 Synonym
  • Atul Vulcan Fast Pigment Orange G Synonym
  • Benzidine Orange WD 265 Synonym
  • Benzidine Orange 45-2880 Synonym
  • Benzidine Orange 45-2850 Synonym
  • Benzidine Orange Toner Synonym
  • Calcotone Orange R Synonym
  • Carnelio Orange G Synonym
  • Dainichi Fast Orange RR Synonym
  • Daltolite Fast Orange G Synonym
  • Eljon Fast Orange G Synonym
  • Fast Benzidene Orange YB 3 Synonym
  • Fastona Orange G Synonym
  • Fast Orange J Synonym
  • Graphtol Orange GP Synonym
  • Irgalite Fast Orange PG Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 623.50 g/mol CAS Common Chemistry
623.5040000000001 g/mol RDKit
623.504 g/mol RDKit
623.498 g/mol chempirical lib
Wikipedia Url https://en.wikipedia.org/wiki/Pigment_Orange_13 CAS Common Chemistry
Canonical SMILES O=C1N(N=C(C)C1N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC4C(=O)N(N=C4C)C=5C=CC=CC5)C(Cl)=C3)C=6C=CC=CC6 CAS Common Chemistry
InChI InChI=1S/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,29-30H,1-2H3 CAS Common Chemistry
InChI Key InChIKey=HKYYDLYCGBDWSB-UHFFFAOYSA-N CAS Common Chemistry
Name Pigment Orange 13 CAS Common Chemistry
Heavy Atom Count 44 RDKit
Hydrogen Bond Acceptors 8 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 7 RDKit
Aromatic Ring Count 4 RDKit
Topological Polar Surface Area 114.78 Ų RDKit
114.32 Ų chempirical lib
LogP 8.410400000000005 RDKit
8.4104 RDKit
Molar Refractivity 172.57999999999967 cm³/mol RDKit
Ring Count 6 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.125 RDKit
0.12 chempirical lib
Exact Mass 622.1399273680001 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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MW = 623.50 g/mol. Edit any field — others recompute live.

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