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Molecule
4-Amino-4′-Nitroazobenzene
CAS: 730-40-5 · C12H10N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 730-40-5
- Molecular Formula
- C12H10N4O2
- Molecular Mass
- 242.24 g/mol
Identifiers
CAS Registry Number
730-40-5
SMILES
Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
InChI Key
UNBOSJFEZZJZLR-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2
Names and Synonyms
- 4-Amino-4′-Nitroazobenzene Synonym
- Benzenamine, 4-[2-(4-nitrophenyl)diazenyl]- Synonym
- C.I. Disperse Orange 3 Synonym
- Benzenamine, 4-[(4-nitrophenyl)azo]- Synonym
- 4-[2-(4-Nitrophenyl)diazenyl]benzenamine Synonym
- C.I. 11005 Synonym
- Acetamine Orange GR Synonym
- Acetate Fast Orange G Synonym
- Acetate Fast Orange GR Synonym
- Acetoquinone Light Orange JRL Synonym
- Altocyl Orange GR Synonym
- Amacel Orange GR Synonym
- Artisil Direct Orange 2R Synonym
- Artisil Orange 2R Synonym
- Celliton Discharge Orange GRL Synonym
- Celliton Fast Orange GR Synonym
- Celliton Orange GR Synonym
- Celliton Orange GRA Synonym
- Celutate Orange GRH Synonym
- Cibacete Orange 2RN Synonym
- Cibacet Orange 2R Synonym
- Cilla Fast Orange GR Synonym
- Diacelliton Fast Orange GL Synonym
- Disperse Orange GR Synonym
- Dispersol Fast Orange G Synonym
- Durgacet Orange GR Synonym
- Eastman Orange GRN Synonym
- Eastone Orange 2R Synonym
- Eniacyl Orange GR Synonym
- Fenacet Orange G Synonym
- Interchem Acetate Orange GL Synonym
- Kayalon Fast Orange GR Synonym
- Microsetile Orange GR Synonym
- Miketon Fast Orange GR Synonym
- Nacelan Orange GR Synonym
- Neosetile Orange GR Synonym
- p-Nitro-p′-aminoazobenzene Synonym
- Nyloquinone Orange 2R Synonym
- Oracet Orange 2R Synonym
- Perliton Orange 6R Synonym
- Reliton Orange GR Synonym
- Serilic Orange GXD Synonym
- Setacyl Orange GR Synonym
- Setacyl Orange RE Synonym
- Silotras Orange TSGR Synonym
- Supracet Fast Orange G Synonym
- Vonteryl Orange GS Synonym
- Disperse Orange 3 Synonym
- 4-Amino-4′-nitroazobenzene Synonym
- 4′-Nitro-4-aminoazobenzene Synonym
- 4-Nitro-4′-aminoazobenzene Synonym
- C.I. Solvent Orange 9 Synonym
- Disperse Orange Zh Synonym
- Transetile Orange P-GR Synonym
- Dispersol Orange AG Synonym
- p-(p-Nitrophenylazo)aniline Synonym
- Synten Orange 2R Synonym
- Ostacet Orange P 2R Synonym
- Atlantic Disperse Orange GRA Synonym
- 4-(4-Nitrophenylazo)aniline Synonym
- 4-[(4-Nitrophenyl)azo]benzenamine Synonym
- Akasperse Orange RBA Synonym
- 4-(4′-Nitrophenylazo)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.24 g/mol | CAS Common Chemistry |
| 242.23800000000003 g/mol | RDKit | |
| 242.238 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N=NC2=CC=C(N)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UNBOSJFEZZJZLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215 °C | CAS Common Chemistry |
| Name | 4-Amino-4′-nitroazobenzene | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 93.88 Ų | RDKit |
| 89.04 Ų | chempirical lib | |
| LogP | 3.5924000000000014 | RDKit |
| 3.5924 | RDKit | |
| Molar Refractivity | 68.12680000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 242.08037556 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 |
|---|
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.
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MW = 242.24 g/mol. Edit any field — others recompute live.
