1,2,3,4,5-Pentamethylcyclopentadiene CAS#: 4045-44-7; ChemWhat Code: 30625
Identification
Patent Information | ||
Patent ID | Title | Publication Date |
US2013/65864 | NOVEL IRIDIUM/RHODIUM ANTI-CANCER COMPOUNDS | 2013 |
US2013/65864 | Process for preparing borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers | 2013 |
Physical Data
Appearance | Light-yellow liquid |
Solubility | Miscible with methanol. dichloromethane and ethyl acetate. Slightly miscible with water. |
Flash Point | 44 ºC |
Refractive index | n20/D 1.474(lit.) |
Sensitivity | Light Sensitive |
Boiling Point, °C | Pressure (Boiling Point), Torr |
58 – 60 | 14 |
32 | 2.3 |
52 – 55 | 11.3 |
55 – 60 | 13 |
51 | 7 |
58 | 10 |
Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
1.473 | 589 | 20 |
1.4748 | 589 | 20 |
Description (Association (MCS)) | Solvent (Association (MCS)) | Partner (Association (MCS)) |
UV/VIS spectrum of the complex | benzene | chloranil |
Spectra
Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
Spectrum | 1H | |||
Chemical shifts | 1H | benzene-d6 | 25 | 500.1 |
Chemical shifts | 13C | benzene-d6 | 25 | 125.8 |
Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | ||
Chemical shifts, Spectrum | 13C | sulfuric acid | 150.9 | |
Spin-spin coupling constants | CCl4 | |||
Spin-spin coupling constants | CDCl3 |
Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
Bands | neat (no solvent) |
Spectrum |
Description (Mass Spectrometry) |
gas chromatography mass spectrometry (GCMS), spectrum |
GCMS (Gas chromatography mass spectrometry), Spectrum |
spectrum |
Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
Absorption maxima | CH2Cl2 | 250 | |
Absorption maxima | trifluoroacetic acid | 405, 295 | 50 |
Route of Synthesis (ROS)
Conditions | Yield |
In methanol at 101℃; for 48h; Schlenk technique; Inert atmosphere; Reflux; | 93% |
In methanol at 110℃; under 15001.5 Torr; for 0.75h; | 90% |
In methanol at 140℃; for 0.05h; Inert atmosphere; Microwave irradiation; | 87% |
Safety and Hazards
Pictogram(s) | |
Signal | Warning |
GHS Hazard Statements | H226 (98.04%): Flammable liquid and vapor [Warning Flammable liquids] Information may vary between notifications depending on impurities, additives, and other factors. |
Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
Transportation | Class 3; Packaging Group: III; UN Number: 3295C |
Under the room temperature and away from light | |
HS Code | 290219 |
Storage | Under the room temperature and away from light |
Shelf Life | 2 years |
Market Price | USD |
Use Pattern |
1,2,3,4,5-Pentamethylcyclopentadiene CAS#: 4045-44-7 is usually used as an OPC material. |
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