DIMETHYLPHENYLPHOSPHINE CAS#: 672-66-2; ChemWhat Code: 38297
Identification
| Product Name | DIMETHYLPHENYLPHOSPHINE |
| IUPAC Name | dimethyl(phenyl)phosphane |
| Molecular Structure |  |
| CAS Registry Number | 672-66-2 |
| EINECS Number | 211-595-3 |
| MDL Number | MFCD00008509 |
| Beilstein Registry Number | 742064 |
| Synonyms | Dimethyl(phenyl)phosphinephosphine, dimethylphenyl-dimethyl-phenyl-phosphinephenyldimethylphosphinePMe2Ph |
| Molecular Formula | C8H11P |
| Molecular Weight | 138.147 |
| InChI | InChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChI Key | HASCQPSFPAKVEK-UHFFFAOYSA-N |
| Canonical SMILES | CP(C)c1ccccc1 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN111072544 | 2, 2, 3-trisubstituted tetrahydropyrrole derivative and synthesis method thereof | 2020 |
| US2013/116434 | TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS | 2013 |
| EP1201634 | Process of telomerizing conjugated dienes | 2002 |
Physical Data
| Appearance | Colourless clear liquid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | 1.5610-1.5660 @ 20°C |
| Sensitivity | Air Sensitive |
| Melting Point, °C |
| 116 – 117 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 69 | 8 |
| 110 – 130 | 50 |
| 100 – 102 | |
| 41 – 45 | 0.1 |
| 70 – 71 | 15 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.5643 | 589 | 21 |
| 1.565 | 589 | 20 |
| 1.5673 | 589 | 19.5 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 0.9662 | 4 | 20 |
| 0.967 | 4 | 20 |
| 0.9768 | 11 |
| Description (Association (MCS)) | Partner (Association (MCS)) |
| Adsorption | aluminum(III) oxide |
| Adsorption | γ-Al2O3 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 31P | [D3]acetonitrile | 162 | |
| Spectrum | 31P | hexadeuterobenzene | 25 | 202 |
| Chemical shifts | 1H | 22 | 500 | |
| Chemical shifts | 31P | chloroform-d1 | 121.5 | |
| Chemical shifts, Spectrum | 31P | chloroform-d1 | 25 | 121.5 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands | dichloromethane | |
| Bands | neat (no solvent) | 1483 – 694 cm**(-1) |
| Bands | benzene | 1587 – 1570 cm**(-1) |
| Spectrum | benzene | 1620 – 1550 cm**(-1) |
| Bands | cyclohexane | 1589 – 1572 cm**(-1) |
| DIMETHYLPHENYLPHOSPHINE CAS#: 672-66-2 FTIR |  |
| Description (Mass Spectrometry) |
| spectrum |
| electrospray ionisation (ESI), high resolution mass spectrometry (HRMS), time-of-flight mass spectra (TOFMS), spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Absorption maxima | acetonitrile | 250, 346 | 1230, 263 | |
| Spectrum | cyclohexane | 200 – 330 nm | ||
| Absorption maxima | cyclohexane | 251.19 | 5600 | |
| Absorption maxima | cyclohexane | 251.19 | 5550 | |
| UV/VIS |
| Description (ESR Spectroscopy) |
| Spectrum |
| ENDOR (electron-nuclear double resonance) |
| ESR |
| Description (Raman Spectroscopy) | Comment (Raman Spectroscopy) |
| Bands | cyclohexane |
| Raman intensities | |
| Bands |
Route of Synthesis (ROS)
| Conditions | Yield |
| With polymethylhydrosiloxane In neat (no solvent) at 150℃; for 10h; Reagent/catalyst; Temperature; Inert atmosphere; Green chemistry; | 95% |
| With phenylsilane In neat (no solvent) at 110℃; for 1.75h; Reagent/catalyst; Temperature; Time; Inert atmosphere; Green chemistry; | 95% |
| With [AlH3(triethylamine)] In hexane at 20℃; for 0.166667h; Inert atmosphere; Schlenk technique; | 98 %Chromat. |
| With hexylsilane; trifluorormethanesulfonic acid In toluene at 70℃; for 24h; Inert atmosphere; Sealed tube; chemoselective reaction; | 94 %Spectr. |
| With methanesulfonic acid; 1,1,3,3-Tetramethyldisiloxane In toluene at 100℃; for 4.5h; Inert atmosphere; Schlenk technique; |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Danger |
| GHS Hazard Statements | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (97.67%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | 290621 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 6 months |
| Market Price | USD 25/g |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 138.149 |
| logP | 3.037 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 13.59 |
| Rotatable Bond (RotB) | 1 |
| Matching Veber Rules | 2 |
| Use Pattern |
| DIMETHYLPHENYLPHOSPHINE CAS#: 672-66-2 commonly used as phosphorus ligand. |
| component of transition-metal catalyst for synthesis of 2H-indazoles |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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