3-Methyl-4-nitrobenzoic acidCAS# 3113-71-1 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 3113-71-1 | SDF | Download SDF |
| PubChem ID | 18370 | Appearance | Powder |
| Formula | C8H7NO4 | M.Wt | 181.15 |
| Type of Compound | Alkaloids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| SMILES | CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] | ||
| Standard InChIKey | XDTTUTIFWDAMIX-UHFFFAOYSA-N | ||
| 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. | ||
| Structure Identification | 《Chinese Journal of Applied Chemistry》 2005-12Synthesis of 3-Methyl-4-nitrobenzoic Acid via Catalytic Oxidation with Molecular Oxygen[Reference: WebLink]
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3-Methyl-4-nitrobenzoic acid Dilution Calculator
3-Methyl-4-nitrobenzoic acid Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 5.5203 mL | 27.6014 mL | 55.2029 mL | 110.4057 mL | 138.0072 mL |
| 5 mM | 1.1041 mL | 5.5203 mL | 11.0406 mL | 22.0811 mL | 27.6014 mL |
| 10 mM | 0.552 mL | 2.7601 mL | 5.5203 mL | 11.0406 mL | 13.8007 mL |
| 50 mM | 0.1104 mL | 0.552 mL | 1.1041 mL | 2.2081 mL | 2.7601 mL |
| 100 mM | 0.0552 mL | 0.276 mL | 0.552 mL | 1.1041 mL | 1.3801 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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Synthesis of 3-Methyl-4-nitrobenzoic Acid via Catalytic Oxidation with Molecular Oxygen
《Chinese Journal of Applied Chemistry》 2005-12
3-Methyl-4-nitrobenzoic acid was synthesized via oxidation of 2,4-(dimethylnitrobenzene) with mole-(cular) oxygen catalyzed by cobalt acetate in acetic acid in the presence of an initiator.It was found that the yield of 3-Methyl-4-nitrobenzoic acid increased remarkably with the addition of sodium bromide as a co-(catalyst).The reaction was carried out at 130 ℃ for 8 h at 0.8 MPa of oxygen in the presence of 0.017 mol of cobalt acetate,(0.017 mol) of sodium bromide,and 0.30 mol of 2-butanone with 1.00 mole of 2,4-dimethylnitrobenzene.(Under) these conditions 99% of the reactant converted with a selectivity of 52% to 3-methyl-4-(nitrobenzoic) acid,and the yield of 3methyl-4-(nitrobenzoic) acid was 51%.The reaction mechanism and the function of(sodium) bromide were discussed.According to the fact that the reaction could not proceed without the presence of an initiator,it was proposed that the reaction took place via a free radical mechanism,and(sodium) bromide reacted with Co(Ⅲ) to generate bromine radicals,which promoted the formation of benzyl radicals.
