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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.
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 |
