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Molecule
Solvent Yellow 7
CAS: 1689-82-3 · C12H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1689-82-3
- Molecular Formula
- C12H10N2O
- Molecular Mass
- 198.22 g/mol
Identifiers
CAS Registry Number
1689-82-3
SMILES
Oc1ccc(N=Nc2ccccc2)cc1
InChI Key
BEYOBVMPDRKTNR-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H
Names and Synonyms
- Solvent Yellow 7 Common Name
- Phenol, 4-(2-phenyldiazenyl)- Synonym
- C.I. Solvent Yellow 7 Synonym
- Phenol, 4-(phenylazo)- Synonym
- Phenol, p-phenylazo- Synonym
- 4-(2-Phenyldiazenyl)phenol Synonym
- C.I. 11800 Synonym
- Brasilazina Oil Yellow O Synonym
- p-Hydroxyazobenzene Synonym
- 4-Hydroxyazobenzene Synonym
- Pirocard Green 491 Synonym
- 4-(Phenylazo)phenol Synonym
- p-(Phenylazo)phenol Synonym
- Solvent Yellow 7 Synonym
- NSC 3177 Synonym
- 4-(Phenyldiazenyl)phenol Synonym
- p-Phenylazophenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.22500000000005 g/mol | RDKit | |
| 198.225 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Solvent_Yellow_7 | CAS Common Chemistry |
| Boiling Point | 225 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(N=NC=2C=CC=CC2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H | CAS Common Chemistry |
| InChI Key | InChIKey=BEYOBVMPDRKTNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-157 °C | CAS Common Chemistry |
| Name | 4-Hydroxyazobenzene | CAS Common Chemistry |
| Solvent Yellow 7 | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 44.95 Ų | RDKit |
| LogP | 3.8076000000000025 | RDKit |
| 3.8076 | RDKit | |
| Molar Refractivity | 58.72480000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.07931294 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.
External Resources
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MW = 198.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2O.
