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2,2′-Binaphthalene
CAS: 612-78-2 | C20H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
612-78-2
Molecular Formula:
C20H14
Molecular Mass:
254.33 g/mol
Names and Synonyms:
2,2′-Binaphthalene
2,2′-Binaphthalene
2,2′-Binaphthyl
2,2′-Dinaphthyl
β,β′-Binaphthyl
NSC 60426
2-Naphthalen-2-ylnaphthalene
Identifiers:
SMILES:
c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1
InChI:
InChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
Key Properties
Boiling Point
452 °C
CAS Common Chemistry
Melting Point
188.3 °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 | 254.33 g/mol | CAS Common Chemistry |
| 254.332 g/mol | RDKit | |
| 254.109550448 g/mol | RDKit | |
| Boiling Point | 452 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C(C=CC2C1)C=3C=CC=4C=CC=CC4C3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=MSBVBOUOMVTWKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188.3 °C | CAS Common Chemistry |
| Name | 2,2′-Binaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.660000000000004 | RDKit |
| Molar Refractivity | 86.89000000000004 | RDKit |
