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2,3-Dibromonaphthalene
CAS: 13214-70-5 | C10H6Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13214-70-5
Molecular Formula:
C10H6Br2
Molecular Mass:
285.97 g/mol
Names and Synonyms:
2,3-Dibromonaphthalene
Naphthalene, 2,3-dibromo-
2,3-Dibromonaphthalene
Identifiers:
SMILES:
Brc1cc2ccccc2cc1Br
InChI:
InChI=1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
Key Properties
Melting Point
140 °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 | |
| Canonical SMILES | BrC1=CC=2C=CC=CC2C=C1Br | CAS Common Chemistry |
| InChI | InChI=1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=GTILXPRQNNYDHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140 °C | CAS Common Chemistry |
| Name | 2,3-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 | 4.364800000000001 | RDKit |
| Molar Refractivity | 59.34800000000002 | RDKit |
