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Molecule
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
Identifiers
CAS Registry Number
15793-73-4
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 Key
UIBAAMBCJDNDSQ-UHFFFAOYSA-N
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
Names and Synonyms
- Pigment Orange 34 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-(4-methylphenyl)- Synonym
- C.I. Pigment Orange 34 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-(4-methylphenyl)- Synonym
- 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] Synonym
- C.I. 21115 Synonym
- Benzidine Orange T Synonym
- Helio Fast Orange GR Synonym
- Isol Benzidine Orange GX Synonym
- Pyrazolone Orange Synonym
- C.I. Pigment Orange 35 Synonym
- C.I. Pigment Orange 37 Synonym
- Permanent Orange RL Synonym
- PV-Orange RL Synonym
- 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 Synonym
- Permanent Orange RL 70 Synonym
- Pigment Orange 34 Synonym
- Irgalite Orange F 2G Synonym
- Fastona Orange 34 Synonym
- Permanent Orange RL 01 Synonym
- Roma Orange B 112700 Synonym
- Vynamon Orange RE-FW Synonym
- Unisperse Orange F 2G-PI Synonym
- Viscofil Orange S-RL Synonym
- Graphtol Orange RL Synonym
- PO 34 Synonym
- Irgalite Orange D 2980 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 651.56 g/mol | CAS Common Chemistry |
| 651.5580000000001 g/mol | RDKit | |
| 651.558 g/mol | RDKit | |
| 651.552 g/mol | chempirical lib | |
| 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 |
| 114.32 Ų | chempirical lib | |
| LogP | 9.02724 | RDKit |
| 9.0272 | RDKit | |
| Molar Refractivity | 182.0539999999996 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 650.1712274960001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 651.56 g/mol. Edit any field — others recompute live.
