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Azobenzene
CAS: 103-33-3 | C12H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-33-3
Molecular Formula:
C12H10N2
Molecular Mass:
182.23 g/mol
Names and Synonyms:
Azobenzene
Diazene, 1,2-diphenyl-
Azobenzene
Diazene, diphenyl-
Benzene, azo-
1,2-Diphenyldiazene
Azobenzide
Azobenzol
Benzeneazobenzene
Diphenyldiimide
Benzene, azobis-
Diphenyldiazene
Phenylazobenzene
A 15073
NSC 2102
Identifiers:
SMILES:
c1ccc(N=Nc2ccccc2)cc1
InChI:
InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
293 °C
CAS Common Chemistry
Melting Point
68 °C
CAS Common Chemistry
Density
1.20 g/cm³
CAS Common Chemistry
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 | 182.23 g/mol | CAS Common Chemistry |
| 182.22600000000003 g/mol | RDKit | |
| 182.08439832 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.203 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Azobenzene | CAS Common Chemistry |
| Boiling Point | 293 °C | CAS Common Chemistry |
| Canonical SMILES | N(=NC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=DMLAVOWQYNRWNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | Azobenzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.72 Ų | RDKit |
| LogP | 4.102000000000002 | RDKit |
| Molar Refractivity | 57.06000000000003 | RDKit |
