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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
Names and Synonyms:
Solvent Yellow 7
Phenol, 4-(2-phenyldiazenyl)-
C.I. Solvent Yellow 7
Phenol, 4-(phenylazo)-
Phenol, p-phenylazo-
4-(2-Phenyldiazenyl)phenol
C.I. 11800
Brasilazina Oil Yellow O
p-Hydroxyazobenzene
4-Hydroxyazobenzene
Pirocard Green 491
4-(Phenylazo)phenol
p-(Phenylazo)phenol
Solvent Yellow 7
NSC 3177
4-(Phenyldiazenyl)phenol
p-Phenylazophenol
Identifiers:
SMILES:
Oc1ccc(N=Nc2ccccc2)cc1
InChI:
InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H
Key Properties
Boiling Point
225 °C
CAS Common Chemistry
Melting Point
155-157 °C
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 | 198.22 g/mol | CAS Common Chemistry |
| 198.22500000000005 g/mol | RDKit | |
| 198.07931294 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 |
| Molar Refractivity | 58.72480000000003 | RDKit |
