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1,4-Dibromonaphthalene
CAS: 83-53-4 | C10H6Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83-53-4
Molecular Formula:
C10H6Br2
Molecular Mass:
285.97 g/mol
Names and Synonyms:
1,4-Dibromonaphthalene
Naphthalene, 1,4-dibromo-
1,4-Dibromonaphthalene
Identifiers:
SMILES:
Brc1ccc(Br)c2ccccc12
InChI:
InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
Key Properties
Boiling Point
310 °C
CAS Common Chemistry
Melting Point
83 °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 | 285.97 g/mol | CAS Common Chemistry |
| 285.966 g/mol | RDKit | |
| 283.883624392 g/mol | RDKit | |
| Boiling Point | 310 °C | CAS Common Chemistry |
| Canonical SMILES | BrC1=CC=C(Br)C=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=IBGUDZMIAZLJNY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83 °C | CAS Common Chemistry |
| Name | 1,4-Dibromonaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.364800000000002 | RDKit |
| Molar Refractivity | 59.34800000000001 | RDKit |
