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Meso-Stilbene Dibromide
CAS: 13440-24-9 | C14H12Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13440-24-9
Molecular Formula:
C14H12Br2
Molecular Mass:
340.06 g/mol
Names and Synonyms:
Meso-Stilbene Dibromide
Benzene, 1,1′-[(1R,2S)-1,2-dibromo-2-phenylethyl]-, rel-
Bibenzyl, α,α′-dibromo-, meso-
Benzene, 1,1′-(1,2-dibromo-1,2-ethanediyl)bis-, (R*,S*)-
rel-1,1′-[(1R,2S)-1,2-Dibromo-2-phenylethyl]benzene
meso-Dibromostilbene
meso-1,2-Dibromo-1,2-diphenylethane
meso-Stilbene dibromide
meso-α,β-Dibromostilbene
erythro-1,2-Dibromo-1,2-diphenylethane
Identifiers:
SMILES:
Br[C@H](c1ccccc1)[C@@H](Br)c1ccccc1
InChI:
InChI=1/C14H12Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+
Key Properties
Melting Point
236-237 °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 | 340.06 g/mol | CAS Common Chemistry |
| 340.05800000000005 g/mol | RDKit | |
| 337.930574584 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Meso-Stilbene_dibromide | CAS Common Chemistry |
| Canonical SMILES | BrC(C=1C=CC=CC1)C(Br)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1/C14H12Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+ | CAS Common Chemistry |
| InChI Key | InChIKey=GKESIQQTGWVOLH-OKILXGFUNA-N | CAS Common Chemistry |
| Melting Point | 236-237 °C | CAS Common Chemistry |
| Name | meso-1,2-Dibromo-1,2-diphenylethane | CAS Common Chemistry |
| meso-Stilbene dibromide | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.258800000000003 | RDKit |
| Molar Refractivity | 76.22000000000004 | RDKit |
