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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 Weight:
242.23800000000003 g/mol
Names and Synonyms:
4-Amino-4′-Nitroazobenzene
Benzenamine, 4-[2-(4-nitrophenyl)diazenyl]-
C.I. Disperse Orange 3
Benzenamine, 4-[(4-nitrophenyl)azo]-
4-[2-(4-Nitrophenyl)diazenyl]benzenamine
C.I. 11005
Acetamine Orange GR
Acetate Fast Orange G
Acetate Fast Orange GR
Acetoquinone Light Orange JRL
Altocyl Orange GR
Amacel Orange GR
Artisil Direct Orange 2R
Artisil Orange 2R
Celliton Discharge Orange GRL
Celliton Fast Orange GR
Celliton Orange GR
Celliton Orange GRA
Celutate Orange GRH
Cibacete Orange 2RN
Cibacet Orange 2R
Cilla Fast Orange GR
Diacelliton Fast Orange GL
Disperse Orange GR
Dispersol Fast Orange G
Durgacet Orange GR
Eastman Orange GRN
Eastone Orange 2R
Eniacyl Orange GR
Fenacet Orange G
Interchem Acetate Orange GL
Kayalon Fast Orange GR
Microsetile Orange GR
Miketon Fast Orange GR
Nacelan Orange GR
Neosetile Orange GR
p-Nitro-p′-aminoazobenzene
Nyloquinone Orange 2R
Oracet Orange 2R
Perliton Orange 6R
Reliton Orange GR
Serilic Orange GXD
Setacyl Orange GR
Setacyl Orange RE
Silotras Orange TSGR
Supracet Fast Orange G
Vonteryl Orange GS
Disperse Orange 3
4-Amino-4′-nitroazobenzene
4′-Nitro-4-aminoazobenzene
4-Nitro-4′-aminoazobenzene
C.I. Solvent Orange 9
Disperse Orange Zh
Transetile Orange P-GR
Dispersol Orange AG
p-(p-Nitrophenylazo)aniline
Synten Orange 2R
Ostacet Orange P 2R
Atlantic Disperse Orange GRA
4-(4-Nitrophenylazo)aniline
4-[(4-Nitrophenyl)azo]benzenamine
Akasperse Orange RBA
4-(4′-Nitrophenylazo)aniline
Identifiers:
SMILES:
Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
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
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 | 242.24 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(N=NC2=CC=C(N)C=C2)C=C1 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=UNBOSJFEZZJZLR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 215 °C None | Legacy Database |
| cas-name | 4-Amino-4′-nitroazobenzene None | Legacy Database |
| LogP | 3.5924000000000014 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 242.23800000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 242.08037556 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 93.88 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 68.12680000000002 | RDKit |
