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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 Weight: 623.5040000000001 g/mol

Names and Synonyms:

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

Identifiers:

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

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 623.50 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Pigment_Orange_13 None Legacy Database
cas-canonical-smile 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 None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=HKYYDLYCGBDWSB-UHFFFAOYSA-N None Legacy Database
cas-name Pigment Orange 13 None Legacy Database
wikipedia-name Pigment Orange 13 None Legacy Database
LogP 8.410400000000005 RDKit

Molecular

Property Value Source
Molecular Weight 623.5040000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 622.1399273680001 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 44 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 8 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 7 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 4 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 114.78 Ų RDKit

Molar

Property Value Source
Molar Refractivity 172.57999999999967 RDKit

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