6-Nitroquinoline
6-Nitroquinoline
CAS: 613-50-3
Molecular Formula: C9H6N2O2
6-Nitroquinoline - Names and Identifiers
| Name | 6-Nitroquinoline |
| Synonyms | 40 kg 6-Nitrochinolin 6-Nitroquinoline 6-nitro-quinolin 6-NITROQUINOLINE 6-Nittroquinoline 6-Nitro-quinoline Quinoline,6-nitro- |
| CAS | 613-50-3 |
| EINECS | 210-346-6 |
| InChI | InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H |
| InChIKey | SMHPLBXIVNQFBA-UHFFFAOYSA-N |
6-Nitroquinoline - Physico-chemical Properties
| Molecular Formula | C9H6N2O2 |
| Molar Mass | 174.16 |
| Density | 1.2190 (estimate) |
| Melting Point | 151-153°C(lit.) |
| Boling Point | 305.12°C (rough estimate) |
| Flash Point | 156.7°C |
| Water Solubility | Slightly soluble in water |
| Vapor Presure | 0.000233mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | Needles from water or alc |
| BRN | 136138 |
| pKa | 3.24±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.6820 (rough estima |
| MDL | MFCD00006799 |
| Physical and Chemical Properties | Light yellow needle-like crystals. Melting point 153-154 °c (150 °c). Can sublimate. Soluble in hot water and hot ethanol, soluble in benzene and dilute inorganic acid, slightly soluble in cold water. |
6-Nitroquinoline - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S7 - Keep container tightly closed. S22 - Do not breathe dust. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| WGK Germany | 3 |
| RTECS | VC1900000 |
| HS Code | 29339900 |
| Toxicity | mma-sat 100 mmol/plate MUREAV 58,11,78 |
6-Nitroquinoline - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. |
| production method | with P-nitroaniline as raw material, after condensation with acrolein, or with glycerol ring system. 1. Acrolein method acrolein and p-nitroaniline were added into reaction pot, heated to 75-80 ℃, kept for 1H, iodine, potassium iodide and sulfuric acid were added. Continue to slowly raise the temperature to 110 ℃, keep the temperature for 20min, then raise the temperature to 120 ℃, keep the temperature for half an hour, and then raise the temperature to more than 136 ℃. After completion of the reaction, a large amount of water was added for dilution. After decolorization with activated carbon, neutralization was carried out to pH = 3-4. Filtration, washing with water to pH 7 and drying at low temperature gave 6-nitroquinoline. 2. Glycerol method p-nitroaniline, glycerol and arsenic acid were added to the reaction pot and heated, and sulfuric acid was added dropwise at 70 °c. After addition, the reaction was carried out at 132-136 °c for 1H. It was diluted with water, decolorized with activated carbon, and neutralized to pH 2.5-3 with 20% sodium hydroxide solution. Spin filter, washing with water and saturated sodium sulfide solution in turn, and drying to obtain the finished product. |
Last Update：2024-04-10 22:29:15
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