1-Allyl-3,5-DimethylpyrazoleCAS# 13369-74-9 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 13369-74-9 | SDF | Download SDF |
| PubChem ID | 25930 | Appearance | Powder |
| Formula | C8H12N2 | M.Wt | 136 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 3,5-dimethyl-1-prop-2-enylpyrazole | ||
| SMILES | CC1=CC(=NN1CC=C)C | ||
| Standard InChIKey | NXAGTQRRYZTDKV-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C8H12N2/c1-4-5-10-8(3)6-7(2)9-10/h4,6H,1,5H2,2-3H3 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
1-Allyl-3,5-Dimethylpyrazole Dilution Calculator
1-Allyl-3,5-Dimethylpyrazole Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 7.3529 mL | 36.7647 mL | 73.5294 mL | 147.0588 mL | 183.8235 mL |
| 5 mM | 1.4706 mL | 7.3529 mL | 14.7059 mL | 29.4118 mL | 36.7647 mL |
| 10 mM | 0.7353 mL | 3.6765 mL | 7.3529 mL | 14.7059 mL | 18.3824 mL |
| 50 mM | 0.1471 mL | 0.7353 mL | 1.4706 mL | 2.9412 mL | 3.6765 mL |
| 100 mM | 0.0735 mL | 0.3676 mL | 0.7353 mL | 1.4706 mL | 1.8382 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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The effects of intramolecular and intermolecular coordination on (31)P nuclear shielding: phosphorylated azoles.[Pubmed:22331772]
Magn Reson Chem. 2012 Feb;50(2):120-7.
The effects of intramolecular and intermolecular coordination on (31)P nuclear shielding have been investigated in the series of tetracoordinated, pentacoordinated and hexacoordinated N-vinylpyrazoles and intermolecular complexes of N-vinylimidazole and 1-Allyl-3,5-Dimethylpyrazole with phosphorous pentachloride both experimentally and theoretically. It was shown that either intramolecular or intermolecular coordination involving phosphorous results in a dramatic (31)P nuclear shielding amounting to approximately 150 ppm on changing the phosphorous coordination number by one. A major importance of solvent effects on (31)P nuclear shielding of intramolecular and intermolecular complexes involving N --> P coordination bond has been demonstrated. It was found that the zeroth-order regular approximation-gauge-including atomic orbital-B1PW91/DZP method was sufficiently accurate for the calculation of (31)P NMR chemical shifts, provided relativistic corrections are taken into account, the latter being of crucial importance in the description of (31)P nuclear shielding.
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