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Molecule
(1-Methylethyl)Diphenylphosphine
CAS: 6372-40-3 · C15H17P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6372-40-3
- Molecular Formula
- C15H17P
- Molecular Mass
- 228.27 g/mol
Identifiers
CAS Registry Number
6372-40-3
SMILES
CC(C)P(c1ccccc1)c1ccccc1
InChI Key
LLZAIAIZAVMQIG-UHFFFAOYSA-N
InChI
InChI=1S/C15H17P/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
Names and Synonyms
- (1-Methylethyl)Diphenylphosphine Common Name
- Phosphine, (1-methylethyl)diphenyl- Synonym
- Phosphine, isopropyldiphenyl- Synonym
- (1-Methylethyl)diphenylphosphine Synonym
- Isopropyldiphenylphosphine Synonym
- Diphenylisopropylphosphine Synonym
- NSC 244305 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.27 g/mol | CAS Common Chemistry |
| 228.275 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H17P/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LLZAIAIZAVMQIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33 °C | CAS Common Chemistry |
| Name | (1-Methylethyl)diphenylphosphine | 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 | 3.527700000000002 | RDKit |
| 3.5277 | RDKit | |
| 3.88 | chempirical lib | |
| Molar Refractivity | 74.20800000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 228.106787174 g/mol | RDKit |
| Boiling Point | 165 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
20
0 ppm
| 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.
External Resources
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MW = 228.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H17P.
