5-Chloro-2-nitrobenzoic acidCAS# 2516-95-2 |
Quality Control & MSDS
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Chemical structure
3D structure
| Cas No. | 2516-95-2 | SDF | Download SDF |
| PubChem ID | 17286 | Appearance | Powder |
| Formula | C7H4ClNO4 | M.Wt | 201.6 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-] | ||
| Standard InChIKey | ZKUYSJHXBFFGPU-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11) | ||
| 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. | ||
5-Chloro-2-nitrobenzoic acid Dilution Calculator
5-Chloro-2-nitrobenzoic acid Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 4.9603 mL | 24.8016 mL | 49.6032 mL | 99.2063 mL | 124.0079 mL |
| 5 mM | 0.9921 mL | 4.9603 mL | 9.9206 mL | 19.8413 mL | 24.8016 mL |
| 10 mM | 0.496 mL | 2.4802 mL | 4.9603 mL | 9.9206 mL | 12.4008 mL |
| 50 mM | 0.0992 mL | 0.496 mL | 0.9921 mL | 1.9841 mL | 2.4802 mL |
| 100 mM | 0.0496 mL | 0.248 mL | 0.496 mL | 0.9921 mL | 1.2401 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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Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid.[Pubmed:19805889]
Acta Crystallogr C. 2009 Oct;65(Pt 10):o534-8.
The structures of four isomeric compounds, all C7H4ClNO4.C9H7N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitrobenzoic acid-quinoline (1/1), (I), 3-chloro-2-nitrobenzoic acid-quinoline (1/1), (II), 4-chloro-2-nitrobenzoic acid-quinoline (1/1), (III), and 5-Chloro-2-nitrobenzoic acid-quinoline (1/1), (IV), have been determined at 185 K. In each compound, a short hydrogen bond is observed between the pyridine N atom and a carboxyl O atom. The N...O distances are 2.6476 (13), 2.5610 (13), 2.5569 (12) and 2.5429 (12) A for (I), (II), (III) and (IV), respectively. Although in (I) the H atom in the hydrogen bond is located at the O site, in (II), (III) and (IV) the H atom is disordered in the hydrogen bond over two positions with (N site):(O site) occupancies of 0.39 (3):0.61 (3), 0.47 (3):0.53 (3) and 0.65 (3):0.35 (3), respectively.
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