121-86-8 - Names and IdentifiersName2-Chloro-4-nitrotolueneSynonymsNSC 60111HSDB 5592BRN 181792
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| Name | 2-Chloro-4-nitrotoluene |
| Synonyms | NSC 60111 HSDB 5592 BRN 1817924 o-Chloro-p-nitrotoluol 2-Chloro-4-nitrotoluen P-NITRO-O-CHLOROTOLUENE 2-chloro-4-nitro-toluen 2-CHLORO-4-NITROTOLUENE 2-Chloro-4-nitrotoluene Toluene, 2-chloro-4-nitro- 3-Chloro-4-methylnitrobenzene 2-Chloro-4-nitrotoluen [Czech] 2-Chloro-1-methyl-4-nitrobenzene 2-Chloro-4-nitro-1-methylbenzene 2-CHLORO-1-METHYL-4-NITROBENZENE 3-chloro-4-methylnitrobenzene[qr] 2-chloro-4-nitrotoluen(czech)[qr] Benzene,2-chloro-1-methyl-4-nitro- Benzene, 2-chloro-1-methyl-4-nitro- Benzene, 1-chloro-2-methyl-5-nitro- (9CI) 4-05-00-00855 (Beilstein Handbook Reference) |
| CAS | 121-86-8 |
| EINECS | 204-501-7 |
| InChI | InChI=1/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3 |
| Molecular Formula | C7H6ClNO2 |
| Molar Mass | 171.58 |
| Density | 1.3246 (rough estimate) |
| Melting Point | 61 °C |
| Boling Point | 260 °C |
| Flash Point | 150 °C |
| Water Solubility | 49 mg/L (20 ºC) |
| Solubility | acetonitrile: soluble |
| Vapor Presure | 0.0243mmHg at 25°C |
| Appearance | Yellow powder or crystal |
| Color | Pale Yellow |
| BRN | 1817924 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5470 (estimate) |
| MDL | MFCD00007210 |
| Physical and Chemical Properties | This product is light yellow solid, bitter almond flavor, m.p.55 ~ 56 ℃, relative density of 1.28, soluble in benzene, toluene and other solvents, difficult to dissolve in water. |
| Use | Used as a raw material for medicine |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3457 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | XS9100000 |
| TSCA | Yes |
| HS Code | 29049090 |
| Hazard Class | 6.1 |
| Packing Group | III |
| Use | 3-chloro-4-methylnitrobenzene is an intermediate of the herbicide chlorotoluron. Organic synthesis intermediates. Used to produce green tamarone. Used as a raw material for medicine |
| Production method | It is obtained by chlorination of p-nitrotoluene. First, add dry pure p-nitrotoluene to the acid-resistant ceramic three-mouth bottle, heat it to 55 ℃ in an external water bath, then add a small amount of iodine and iron filings, and enter chlorine at 50-60 ℃. After a few hours, the chlorine absorption will stop when the theoretical amount is reached. At this time, reactants are precipitated in the bottle, and the reactants are heated by steam to melt and then extracted, and washed twice with 5% dilute hydrochloric acid. Then wash once with 1% sodium carbonate solution, and finally wash once with hot water, stir the oil into cold water to form granules, filter, wash with cold water, and blow dry at 40 ℃ to obtain the finished product. In industrial production, the operation process can be carried out in a dry reaction pot. The molten nitrotoluene is put into the reaction pot, iron wire and iodine tablets (or ferric chloride) are added, and an equal molar amount of chlorine is introduced at 58-62 ℃. After being washed with hot water and neutralized with sodium carbonate, it is poured into ice water, stirred to precipitate crystals, filtered, and dried in the shade to obtain the finished product. the preparation method is to add p-nitrotoluene into the reaction kettle, then add the catalyst anhydrous ferric chloride and iodine, under stirring, raise the temperature of the reaction material to 55~70 ℃, pass chlorine gas for reaction, take samples and track and analyze by gas chromatography, reach the end point, stop passing chlorine gas, keep the temperature for 1h, then wash with water, let it stand and delaminate to obtain 3-chloro -4-methylnitrobenzene, and crystallize to obtain the finished product. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 3020 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild; Eyes-rabbit 500 mg/24 hours mild |
| flammability hazard characteristics | combustible, decomposition of toxic chlorides during combustion, nitrogen oxide gas |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate storage and transportation from food raw materials and oxidants |
| fire extinguishing agent | carbon dioxide, sand, foam |
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