4,2-CNBA
4-Chloro-2-nitrobenzoic acid
CAS: 6280-88-2
Molecular Formula: C7H4ClNO4
4,2-CNBA - Names and Identifiers
| Name | 4-Chloro-2-nitrobenzoic acid |
| Synonyms | 4,2-CNBA 4-Chloro-2-Nitrobenzoic 4-chloro-2-nitrobenzoate 4-Chloro-2-nitrobenzoic acid 2-Nitro-4-chlorobenzoic acid 2-Carboxy-5-chloronitrobenzene Benzoic acid, 4-chloro-2-nitro- 4-CHLORO-2-NITROBENZOIC ACID FOR SYNTHES |
| CAS | 6280-88-2 |
| EINECS | 228-483-5 |
| InChI | InChI=1/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)/p-1 |
| InChIKey | JAHIPDTWWVYVRV-UHFFFAOYSA-N |
4,2-CNBA - Physico-chemical Properties
| Molecular Formula | C7H4ClNO4 |
| Molar Mass | 201.56 |
| Density | 1.5 |
| Melting Point | 141-143 °C (lit.) |
| Boling Point | 160.5°C (rough estimate) |
| Flash Point | >100°C |
| Water Solubility | 0.53 g/100 mL (15 ºC) |
| Solubility | 5.3g/l |
| Vapor Presure | 1.03E-05mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Light yellow |
| BRN | 2051370 |
| pKa | 1.97±0.25(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.6000 (estimate) |
| Physical and Chemical Properties | Melting point 141-146°C water-soluble 0.53g/100 mL (15°C) |
| Use | Used as pharmaceutical, organic synthesis intermediates |
4,2-CNBA - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29163900 |
| Hazard Note | Irritant |
4,2-CNBA - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | 4-chloro-2-nitrobenzoic acid is also called p-chloro-o-nitrobenzoic acid, is an important organic intermediates, applied in pesticides, pharmaceuticals, dyes and other production areas. 4-chloro-2-nitrobenzoic acid can be obtained from the oxidation of 4-chloro-2-nitrotoluene. |
| preparation | 1. 54-chloro-2-nitrotoluene was placed in a 100 ml three-necked flask with 20g of vanadium pentoxide. 740g of a pre-prepared 75% sulfuric acid solution was added to a three-necked flask. Installation of thermometer, reflux separator, dropping funnel, condenser, stirrer, exhaust gas absorption device and vacuum pumping device. The reaction solution is heated to a desired temperature under stirring conditions: the vacuum device is activated to maintain a weak negative pressure in the reaction system, so as to facilitate the discharge of the exhaust gas. While maintaining the reaction temperature and pressure with stirring, 65% of concentrated nitric acid was slowly added dropwise to the reaction mixture in llh. During the dropwise addition of nitric acid, part of the raw material and water will be distilled out in the form of azeotrope, the distillate obtained by condensation will be stratified, the oil phase will return to the generator, and the water phase will be discharged. After the completion of the reaction, the reaction conditions were maintained, and 1 l1 was continued to stir. The reaction solution was cooled to 100-120 ° C., and ML of extractant was added. The mixture was stirred for 30min and allowed to stand, the mixture was layered, and the aqueous phase was returned to the flask as the next reaction mother liquid. The oil phase was cooled to room temperature and filtered, and the filter cake was dried under vacuum at 50 ℃ to obtain crude 4-chloro-2-nitrobenzoic acid. The crude 4-chloro-2-nitrobenzoic acid was recrystallized from chlorobenzene, under vacuum drying at 50 ℃, a product with a purity of more than 99% can be obtained, and the appearance of the product is white crystalline powder. |
| Use | used as an intermediate in medicine and organic synthesis used in organic synthesis. |
Last Update：2024-04-09 21:04:16
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