2-Chloro-6-nitrotoluene
2-Chloro-6-nitrotoluene
CAS: 83-42-1
Molecular Formula: C7H6ClNO2
2-Chloro-6-nitrotoluene - Names and Identifiers
| Name | 2-Chloro-6-nitrotoluene |
| Synonyms | 2-Chloro-6-nit Chloro-6-nitrotolu 2-Chloro-6-Nitotoluene 2-Chloro-6-nitrotoluene 2-chloro-6-nitro-toluen 6-Chloro-2-nitrotoluene 2-Nitro-6-Chlorotoluene 1-chloro-2-methyl-3-nitro-benzen 2-CHLORO-6-NITROTOLUENE FOR SYNTHESIS A 2-[4-(2-aminoethylthio)-2-methyl-1-imidazolyl]ethanol 3-Chloro-2-methylnitrobenzene, 1-Chloro-2-methyl-3-nitrobenzene |
| CAS | 83-42-1 |
| EINECS | 201-475-9 |
| InChI | InChI=1/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3 |
| InChIKey | XCSNRORTQRKCHB-UHFFFAOYSA-N |
2-Chloro-6-nitrotoluene - Physico-chemical Properties
| Molecular Formula | C7H6ClNO2 |
| Molar Mass | 171.58 |
| Density | 1.3246 (rough estimate) |
| Melting Point | 34-36 °C (lit.) |
| Boling Point | 238 °C (lit.) |
| Flash Point | 257°F |
| Water Solubility | 92 mg/L (20 ºC) |
| Solubility | 0.092g/l |
| Vapor Presure | 2-770Pa at 20-100℃ |
| Appearance | Bright brown crystal |
| Color | White to Orange to Green |
| BRN | 1239924 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5377 (estimate) |
| MDL | MFCD00007205 |
| Physical and Chemical Properties | This product is needle-like crystal, m. P. 37~40 ℃, B. P. 238 ℃,n69D 1.5377, soluble in ethanol, insoluble in water, with water vapor evaporation. |
| Use | For the synthesis of 3-chloro-2-methylaniline, 2, 6-dichlorobenzaldehyde |
2-Chloro-6-nitrotoluene - Risk and Safety
| 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 | 3 |
| RTECS | XS9130000 |
| TSCA | Yes |
| HS Code | 29039990 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
2-Chloro-6-nitrotoluene - Upstream Downstream Industry
| Downstream Products | 2,6-Dichlorobenzaldehyde |
2-Chloro-6-nitrotoluene - Introduction
Solubility in water: 92 mg/l (20°C)
Last Update：2022-10-16 17:29:14
2-Chloro-6-nitrotoluene - Reference Information
| LogP | 3.09 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 2-chloro-6-nitrotoluene can be used as an intermediate for the synthesis of 2, the intermediate 3-chloro-2-methylaniline of 6-dichloro-benzylchloride and the herbicide quinclorac. intermediates in organic synthesis. used in the synthesis of 3-chloro-2-methylaniline, 2, 6-dichlorobenzaldehyde and so on |
| production method | is obtained by chlorination of O-nitrotoluene. O-nitrotoluene and anhydrous ferric chloride (catalyst) were added into the reactor, and chlorine was introduced into the reactor at 50-60 °c until the relative density of the reactants reached 1.27-1.29(48-50 °c). Or 1.31-1.32(26-28 °c). It was washed three times with 5% hydrochloric acid, then twice with water, and finally adjusted to pH 7 by adding liquid alkali. The water layer was separated and distilled off, followed by fractional distillation under reduced pressure. The fraction at 120-150 ° C. (5.33-8.0kPa) was collected and cooled to precipitate crystals. The final product was obtained by filtration. The yield was more than 40%. The preparation method is to obtain 2-chloro-6-nitrotoluene by chlorination of O-nitrotoluene. O-nitrochlorobenzene, Catalyst iodine and anhydrous ferric chloride were added to the reactor, and chlorine was introduced at 50~60 °c until the relative density of the reactants reached 1.27~1.29 (48~50 °c). Wash with 5% hydrochloric acid for 3 times, then wash with water for 2 times, and finally add alkali solution to adjust pH = 7. The water layer was separated and distilled off, followed by fractional distillation under reduced pressure. The fraction of 120 to 150 ° C./5.3 to 8 kPa was collected, cooled, and crystals were precipitated, followed by filtration to obtain 2-chloro-6-nitrotoluene. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | intravenous-mouse LD50: 56 mg/kg |
| flammability hazard characteristics | flammable, combustion decomposition of toxic chloride, nitrogen oxide gas |
| storage and transportation characteristics | warehouse low temperature, ventilation, dry; Fire protection; And oxidant, separate storage of food raw materials |
| extinguishing agent | water, carbon dioxide, dry powder, sand |
Last Update：2024-04-09 21:04:16
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