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Binap
CAS: 98327-87-8 | C44H32P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98327-87-8
Molecular Formula:
C44H32P2
Molecular Mass:
622.69 g/mol
Names and Synonyms:
Binap
Phosphine, 1,1′-[1,1′-binaphthalene]-2,2′-diylbis[1,1-diphenyl-
Phosphine, [1,1′-binaphthalene]-2,2′-diylbis[diphenyl-
1,1′-[1,1′-Binaphthalene]-2,2′-diylbis[1,1-diphenylphosphine]
BINAP
2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl
rac-BINAP
(±)-BINAP
rac-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl
[1,1′-Binaphthalene]-2,2′-diylbis[diphenylphosphine]
2,2′-Bis(diphenylphosphanyl)-1,1′-binaphthyl
2,2′-Bis(diphenylphosphino)-1,1′-binaphthalene
(±)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthalene
1,1′-Binaphthalene-2,2′-diylbis(diphenylphosphane)
(±)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl
Identifiers:
SMILES:
c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChI:
InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
Key Properties
Melting Point
230-231 °C (decomp)
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 | 622.69 g/mol | CAS Common Chemistry |
| 622.6880000000002 g/mol | RDKit | |
| 622.197924284 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C=5C=6C=CC=CC6C=CC5P(C=7C=CC=CC7)C=8C=CC=CC8 | CAS Common Chemistry |
| InChI | InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H | CAS Common Chemistry |
| InChI Key | InChIKey=MUALRAIOVNYAIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230-231 °C (decomp) | CAS Common Chemistry |
| Name | BINAP | CAS Common Chemistry |
| Heavy Atom Count | 46 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 8 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 9.176400000000001 | RDKit |
| Molar Refractivity | 204.3019999999995 | RDKit |
