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Molecule
Diphenylzinc
CAS: 1078-58-6 · C12H10Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1078-58-6
- Molecular Formula
- C12H10Zn
- Molecular Mass
- 219.60 g/mol
Identifiers
CAS Registry Number
1078-58-6
SMILES
[Zn].[c]1ccccc1.[c]1ccccc1
InChI Key
MKRVHLWAVKJBFN-UHFFFAOYSA-N
InChI
InChI=1S/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H;
Names and Synonyms
- Diphenylzinc Synonym
- Zinc, diphenyl- Synonym
- Diphenylzinc Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.60 g/mol | CAS Common Chemistry |
| 219.602 g/mol | RDKit | |
| 223.624 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylzinc | CAS Common Chemistry |
| Boiling Point | 280-285 °C | CAS Common Chemistry |
| Canonical SMILES | [Zn](C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H; | CAS Common Chemistry |
| InChI Key | InChIKey=MKRVHLWAVKJBFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105-106 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | Diphenylzinc | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.9710800000000006 | RDKit |
| 2.9711 | RDKit | |
| 2.78 | chempirical lib | |
| Molar Refractivity | 50.556000000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 218.00739252 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 219.60 g/mol. Edit any field — others recompute live.
