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Molecule
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
Identifiers
CAS Registry Number
13440-24-9
SMILES
Br[C@H](c1ccccc1)[C@@H](Br)c1ccccc1
InChI Key
GKESIQQTGWVOLH-OKILXGFUNA-N
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+
Names and Synonyms
- Meso-Stilbene Dibromide Synonym
- Benzene, 1,1′-[(1R,2S)-1,2-dibromo-2-phenylethyl]-, rel- Synonym
- Bibenzyl, α,α′-dibromo-, meso- Synonym
- Benzene, 1,1′-(1,2-dibromo-1,2-ethanediyl)bis-, (R*,S*)- Synonym
- rel-1,1′-[(1R,2S)-1,2-Dibromo-2-phenylethyl]benzene Synonym
- meso-Dibromostilbene Synonym
- meso-1,2-Dibromo-1,2-diphenylethane Synonym
- meso-Stilbene dibromide Synonym
- meso-α,β-Dibromostilbene Synonym
- erythro-1,2-Dibromo-1,2-diphenylethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 340.06 g/mol | CAS Common Chemistry |
| 340.05800000000005 g/mol | RDKit | |
| 340.058 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 |
| 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 |
| 5.2588 | RDKit | |
| Molar Refractivity | 76.22000000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 337.930574584 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 340.06 g/mol. Edit any field — others recompute live.
