4-Chloro-3-Nitobenzoic Acid
4-Chloro-3-nitrobenzoic acid
CAS: 96-99-1
Molecular Formula: C7H4ClNO4
4-Chloro-3-Nitobenzoic Acid - Names and Identifiers
| Name | 4-Chloro-3-nitrobenzoic acid |
| Synonyms | TIMTEC-BB SBB000404 RARECHEM AL BO 0284 LABOTEST-BB LT00013440 4-chloro-3-nitrobenzoate 4-Chloro-3-Nitobenzoic Acid 4-CHLORO-3-NITROBENZOIC ACIC 4-Chloro-3-nitrobenzoic acid 4-chloro-3-nitro-benzoicacid 4-chloro-3-nitro benzoic acid 3-Nitro-4-Chloro Benzoic Acid 4-Nitro-3-chloro benzoic acid CHLORO(4-)-3-NITROBENZOIC ACID BENZOIC ACID, 4-CHLORO-3-NITRO- Chlorine - 4-3 - nitro benzoic acid |
| CAS | 96-99-1 |
| EINECS | 202-550-9 |
| InChI | InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)/p-1 |
4-Chloro-3-Nitobenzoic Acid - Physico-chemical Properties
| Molecular Formula | C7H4ClNO4 |
| Molar Mass | 201.56 |
| Density | 1.64 |
| Melting Point | 180-183 °C (lit.) |
| Boling Point | 371.6±27.0 °C(Predicted) |
| Flash Point | 178.5°C |
| Water Solubility | 342.7mg/L(temperature not stated) |
| Vapor Presure | 3.53E-06mmHg at 25°C |
| Appearance | Powder |
| Color | Light yellow to cream |
| BRN | 783626 |
| pKa | 3.35±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.6280 (estimate) |
| Physical and Chemical Properties | Appearance: white powder; Melting Point: 178-182 ℃; Content: ≥ 98% |
| Use | Intermediates in organic synthesis for the manufacture of dyes and pharmaceutical drugs methylimidazole |
4-Chloro-3-Nitobenzoic Acid - 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. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | DG5425050 |
| TSCA | Yes |
| HS Code | 29163900 |
4-Chloro-3-Nitobenzoic Acid - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| uses | organic synthesis intermediates for the production of dyes and pharmaceuticals for the manufacture of the drug methylimidazole. used as pharmaceutical intermediates |
| production method | is obtained by nitration of p-chlorobenzoic acid. There are several methods for nitrification. (1) P-chlorobenzoic acid and sulfuric acid were added to industrial hydrochloric acid in portions, and after the addition, the reaction was maintained at 50-65 ° C. For 5h and left overnight. The nitrates were then poured into ice water, dried by filtration and washed with water to give a crude product. After dissolving, decolorizing and filtering with ethanol, crystals are precipitated in distilled water and dried to obtain the finished product. (2) P-chlorobenzoic acid was nitrated in concentrated nitric acid with a molar ratio excess of 15 times, and reacted for 6h at 20 °c or less. The yield was 90%. (3) nitration was carried out with a mixed acid at its boiling point using methylene chloride as a solvent. The yield was 97% or more. This product was also obtained from p-chlorotoluene by the following reaction. The nitration reaction was carried out at 55-60 °c for 15min with a yield of 92%. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 3150 mg/kg |
| flammability hazard characteristics | flammable, combustion decomposition of toxic chloride, nitrogen oxide gas |
| storage and transportation characteristics | warehouse low temperature, ventilation, dry |
| extinguishing agent | water, carbon dioxide, dry powder, sand |
Last Update：2024-04-10 22:29:15
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