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Pigment Orange 34
CAS: 15793-73-4 | C34H28Cl2N8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15793-73-4
Molecular Formula:
C34H28Cl2N8O2
Molecular Mass:
651.56 g/mol
Names and Synonyms:
Pigment Orange 34
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-(4-methylphenyl)-
C.I. Pigment Orange 34
3H-Pyrazol-3-one, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-
4,4′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one]
C.I. 21115
Benzidine Orange T
Helio Fast Orange GR
Isol Benzidine Orange GX
Pyrazolone Orange
C.I. Pigment Orange 35
C.I. Pigment Orange 37
Permanent Orange RL
PV-Orange RL
4,4′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
Permanent Orange RL 70
Pigment Orange 34
Irgalite Orange F 2G
Fastona Orange 34
Permanent Orange RL 01
Roma Orange B 112700
Vynamon Orange RE-FW
Unisperse Orange F 2G-PI
Viscofil Orange S-RL
Graphtol Orange RL
PO 34
Irgalite Orange D 2980
Identifiers:
SMILES:
CC1=NN(c2ccc(C)cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccc(C)cc4)N=C3C)c(Cl)c2)cc1Cl
InChI:
InChI=1S/C34H28Cl2N8O2/c1-19-5-11-25(12-6-19)43-33(45)31(21(3)41-43)39-37-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)38-40-32-22(4)42-44(34(32)46)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 651.56 g/mol | CAS Common Chemistry |
| 651.5580000000001 g/mol | RDKit | |
| 650.1712274960001 g/mol | RDKit | |
| Canonical SMILES | O=C1N(N=C(C)C1N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)C)C(Cl)=C3)C6=CC=C(C=C6)C | CAS Common Chemistry |
| InChI | InChI=1S/C34H28Cl2N8O2/c1-19-5-11-25(12-6-19)43-33(45)31(21(3)41-43)39-37-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)38-40-32-22(4)42-44(34(32)46)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UIBAAMBCJDNDSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Orange 34 | CAS Common Chemistry |
| Heavy Atom Count | 46 | 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 |
| LogP | 9.02724 | RDKit |
| Molar Refractivity | 182.0539999999996 | RDKit |
