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5,7-Dibromo-8-Hydroxyquinoline
CAS: 521-74-4 | C9H5Br2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
521-74-4
Molecular Formula:
C9H5Br2NO
Molecular Mass:
302.95 g/mol
Names and Synonyms:
5,7-Dibromo-8-Hydroxyquinoline
8-Quinolinol, 5,7-dibromo-
5,7-Dibromo-8-quinolinol
Broxyquinoline
5,7-Dibromo-8-hydroxyquinoline
5,7-Dibromooxine
Dibromoxine
Dibromoxyquinoline
Paramiba
Brodiar
Colepur
Colipar
Fenilor
Paramibe
Broxyquinolin
Dibromoxin
Dibromoksin
Dibromoquin
Intensopan
NSC 1810
NSC 74937
Dibromohydroxyquinoline
Identifiers:
SMILES:
Oc1c(Br)cc(Br)c2cccnc12
InChI:
InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Key Properties
Melting Point
196 °C
CAS Common Chemistry
Density
2.19 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 | 302.95 g/mol | CAS Common Chemistry |
| 302.95300000000003 g/mol | RDKit | |
| 300.87378798000003 g/mol | RDKit | |
| Density | 2.19 g/cm³ | CAS Common Chemistry |
| 2.189 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | BrC1=CC(Br)=C2C=CC=NC2=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H | CAS Common Chemistry |
| InChI Key | InChIKey=ZDASUJMDVPTNTF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | 5,7-Dibromo-8-hydroxyquinoline | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 3.4654000000000007 | RDKit |
| Molar Refractivity | 58.80780000000001 | RDKit |
