5326-39-6
1-iodo-4-methyl-2-nitrobenzene
CAS: 5326-39-6
Molecular Formula: C7H6INO2
5326-39-6 - Names and Identifiers
| Name | 1-iodo-4-methyl-2-nitrobenzene |
| Synonyms | 3-Nitro-4-Iodotoluene 4-IODO-3-NITROTOLUENE 3-nitro-4-iodotoluene 1-Iodo-2-nitro-4-methylbenzene 1-IODO-4-METHYL-2-NITROBENZENE 1-iodo-4-methyl-2-nitrobenzene 1-(2-hydroxy-5-methoxyphenyl)-N,N,N-trimethylmethanaminium iodide |
| CAS | 5326-39-6 |
| InChI | InChI=1/C7H6INO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
5326-39-6 - Physico-chemical Properties
| Molecular Formula | C7H6INO2 |
| Molar Mass | 263.03 |
| Density | 1.8886 (estimate) |
| Melting Point | 53-56°C(lit.) |
| Boling Point | 111°C 1mm |
| Flash Point | 110 °C |
| Vapor Presure | 0.00213mmHg at 25°C |
| Appearance | Glistening Powder |
| Color | Orange-brown |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.643 |
| MDL | MFCD00024196 |
| Physical and Chemical Properties | Brown crystal |
5326-39-6 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S22 - Do not breathe dust. |
| WGK Germany | 3 |
| HS Code | 29049090 |
| Hazard Class | IRRITANT |
5326-39-6 - Reference Information
| Use | 4-iodo-3-nitrotoluene is an orange to brown shiny powder. It is an organic intermediate that can be obtained by nitrating p-iodide toluene with concentrated nitric acid. |
| preparation | 4-iodine -3-nitrotoluene was obtained by nitrification with concentrated nitric acid with p-iodine toluene as the starting material. The direct nitration reaction will have more nitro substitution products and polynitro substitution impurities at different sites, which require more stringent reaction conditions. Nitrotoluene and its derivatives are often nitrated from toluene to produce 1-substituted nitro or polynitro-substituted compounds. Polynitro substituted compounds can be nitrated only once, but it is not economical. At present, the three-stage nitrification method is mostly used. The preparation reaction formula is as follows: 4-iodo-3-nitrotoluene preparation reaction method 1. adding p-iodotoluene to concentrated sulfuric acid, stirring, heating, and reacting at 50 ℃ for 5 hours. Then pour the reaction solution into ice water to obtain a shiny solid product from orange to brown, 4-iodo-3-nitrotoluene. Methods 6.63g of p-iodine toluene was 2. dissolved in 5mL acetic anhydride, the temperature was controlled at 0 ℃, magnetic stirring was carried out, 3mL HNO3 was slowly added dropwise, the temperature was controlled to 20-25 ℃ after adding, the reaction was carried out for 4 hours, the temperature was cooled to room temperature, NaOH solution was added to adjust the PH to 7, the mixture was extracted with ethyl acetate 200 mL for 3 times, saturated salt water was washed, the organic phase was dried with anhydrous Na2SO4, silica gel was mixed, petroleum ether: ethyl acetate (v:v)= 1:3-1:5 is used as mobile phase to pass through the column, and 2.80g of yellow oil 4-iodine -3-nitrotoluene is obtained by rotary evaporation at 25 ℃ with a yield of 35%. Methods Palladium trifluoroacetate 6.7mg, cuprous oxide 28.6mg, potassium phosphate 6.4mg, 3-methyl -2-nitrobenzoic acid 36.2mg, sodium iodide 36mg, bismuth nitrate pentahydrate 194mg and 2mL of dimethyl sulfoxide were 3. added to the sielek reaction tube equipped with magnetic stirrer. The reaction was heated at 170 ℃ for 20 hours in the presence of oxygen. After the reaction is completed, distilled water is added to quench the reaction, and ethyl acetate is used for extraction 3 times, 10mL each time. The combined organic phase is concentrated to obtain 1-iodo-4-methyl-2-nitrobenzene. |
| chemical properties | brown crystal |
Last Update：2024-04-09 19:05:05
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