1-CHLORO-4-METHYLBENZENE
4-Chlorotoluene
CAS: 106-43-4
Molecular Formula: C7H7Cl
1-CHLORO-4-METHYLBENZENE - Names and Identifiers
1-CHLORO-4-METHYLBENZENE - Physico-chemical Properties
| Molecular Formula | C7H7Cl |
| Molar Mass | 126.58 |
| Density | 1.07g/mLat 25°C(lit.) |
| Melting Point | 6-8°C(lit.) |
| Boling Point | 162°C(lit.) |
| Flash Point | 121°F |
| Solubility | 0.040g/l |
| Vapor Presure | 10 mm Hg ( 45 °C) |
| Vapor Density | 4.38 (vs air) |
| Appearance | Liquid |
| Color | Clear |
| Merck | 14,2171 |
| BRN | 1903635 |
| PH | 7.4 (H2O)(saturated aqueous solution) |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Explosive Limit | 0.7-12.2%(V) |
| Refractive Index | n20/D 1.52(lit.) |
| Physical and Chemical Properties | Colorless oily liquid. melting point 7.6 ℃ boiling point 162 ℃ relative density 1.0697 refractive index 1.5150 solubility slightly soluble in water. Soluble ethanol, ether, acetone, benzene and chloroform. |
| Use | Used as raw materials and solvents for the production of pharmaceuticals, pesticides and dyes |
1-CHLORO-4-METHYLBENZENE - Risk and Safety
| Risk Codes | R20 - Harmful by inhalation R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R10 - Flammable R43 - May cause sensitization by skin contact |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | UN 2238 3/PG 3 |
| WGK Germany | 2 |
| RTECS | XS9010000 |
| TSCA | Yes |
| HS Code | 29337900 |
| Hazard Note | Harmful |
| Hazard Class | 3 |
| Packing Group | III |
1-CHLORO-4-METHYLBENZENE - Upstream Downstream Industry
| Raw Materials | Toluene Toluene Chlorine |
| Downstream Products | 4-Chlorobenzaldehyde 3,4-Dichlorobenzotrifluoride |
1-CHLORO-4-METHYLBENZENE - Nature
Open Data Verified Data
colorless oily liquid. Melting point 7.6 °c. Boiling point 162 °c. The relative density was 1. 0697. Refractive index 1.5150. Ignition point> 500 °c. Slightly soluble in water. Soluble ethanol, ether, acetone, benzene and chloroform. Steam distillation may be performed. Its methyl group can be oxidized to obtain
Corresponding aldehydes and acids.
Last Update：2024-01-02 23:10:35
1-CHLORO-4-METHYLBENZENE - Preparation Method
Open Data Verified Data
- obtained by diazotization and chlorination of p-aminotoluene.
- obtained by chlorination of an aromatic ring with toluene.
Last Update：2022-01-01 10:40:43
1-CHLORO-4-METHYLBENZENE - Use
Open Data Verified Data
raw materials for organic synthesis. Intermediates in the synthesis of pharmaceuticals, pesticides, and dyes, such as the synthesis of pyrimethamine, an intermediate of fenalu, are also used as solvents.
Last Update：2022-01-01 10:40:42
1-CHLORO-4-METHYLBENZENE - Safety
Open Data Verified Data
- This product is toxic and has damage to the respiratory tract. It can stimulate eyes and nose. Rat LD50 4000mg/kg. To prevent direct contact, production equipment should be closed, strengthen the Workplace ventilation, the operator should wear protective equipment.
- packaged in plastic barrels, 25kg per barrel. Store in a ventilated, dry place. storage and transportation according to toxic chemicals
Last Update：2022-01-01 10:40:43
1-CHLORO-4-METHYLBENZENE - Reference Information
| LogP | 3.33 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | Mainly used to produce p-chlorobenzyl trifluoro, and also used to produce p-chlorobenzyl chloride, p-chlorobenzaldehyde, p-chlorobenzoyl chloride, p-chlorobenzoic acid, etc., also used in medicine p-chlorobenzoluene is an intermediate for the manufacture of fenvalerate, paclobutrazol, uniconazole, floxamine, oxalon, etc.; It can also be used as a; the manufacture of p-chlorobenzoyl chloride is an intermediate of medicine anti-inflammatory communication; the manufacture of p-chlorobenzoic acid is a raw material for dyes and textile finishing agents. Organic synthetic raw materials. Intermediates in synthetic medicine, pesticides and dyes, such as synthetic pyrimethamine, intermediates in fenalol, are also used as solvents. Used as a raw material and solvent for the production of medicines, pesticides, and dyes Solvent. Organic synthesis. Used in pesticides, medicines, dyes, etc., such as as intermediates for pharmaceutical "indomethacin", raw materials such as pesticides "fenvalerate", "fluclorin", and "Kicao Dan", as well as solvents for rubber and synthetic resins. Used as dye intermediates and solvents, and also used in organic synthesis |
| production method | 1. obtained by diazotization and substitution of p-toluidine. Add p-toluidine and hydrochloric acid to the reaction pot, stir and heat, dissolve to 60 ℃, cool to below 15 ℃, and add sodium nitrite solution dropwise. Continue stirring for 0.5h after reaching the finish line. Add cuprous chloride hydrochloric acid solution and stir at room temperature for 3 hours. Then raise the temperature to 60 ℃ for 0.5h, cool to room temperature and stand for stratification, discard the acid water layer, wash with water to neutral, filter to obtain p-chlorotoluene. The cuprous chloride used in the reaction can be prepared by the following method: add copper sulfate and sodium chloride to water, stir and heat to 40°C to dissolve, add liquid alkali and sodium metabisulfite solution, precipitate precipitates, stand for stratification, and separate The upper waste liquid is removed, the precipitate is soaked with water, and dissolved with hydrochloric acid to obtain cuprous chloride hydrochloric acid solution. Raw material consumption quota: p-toluidine (95%)897kg/t, sodium nitrite 533kg/t, hydrochloric acid 2435kg/t. 2. Aromatic chlorination of toluene. There are several preparation methods. Diazotization method adds industrial salt acid and p-methylaniline to the reaction kettle, the temperature in the kettle is reduced to 0 ℃, so that p-methylaniline forms hydrochloride, stirring, adding sodium nitrite solution to cause diazotization reaction, the temperature is maintained at 0~5 ℃ for about 30min, after the diazotization reaction is completed, it is added to the stirred cuprous chloride solution, gradually heated to room temperature, and stirred at room temperature for 2.5~3h, after heating to 60 ℃, the reactant is gradually decomposed into nitrogen and p-chlorotoluene, and then distilled with steam to collect the mixed solution of p-chlorotoluene and water, stratified, the organic layer is washed with acid, and then washed with water, dried, distilled, and collected the fraction at 158~162 ℃ as p-chlorotoluene, with a yield of about 70% ~ 79%. The toluene dried and dehydrated by salt in the direct chlorination method is measured in the metering tank and enters the toluene chlorination reactor. The measured chlorine gas is introduced from the bottom of the reactor. The toluene and chlorine gas are at a certain temperature, using ferric trichloride as a catalyst The benzene ring is chlorinated to generate a monochlorotoluene chlorination solution. The chlorination solution uses nitrogen to remove the residual gas and hydrogen chloride, and then undergoes crude steaming to obtain a mixture of p-chlorotoluene and o-chlorotoluene, the pair and adjacent ratio vary with the catalyst and reaction conditions. Generally, the pair and adjacent ratio are 55: 45. The separation of p-chlorotoluene and o-chlorotoluene can be carried out by distillation method, molecular sieve adsorption method, distillation crystallization combination method, etc. The combined distillation crystallization method has lower energy consumption, and the content of p-chlorotoluene and o-chlorotoluene obtained is higher. If the falling film freezing crystallization method is adopted, the content of p-chlorotoluene can reach more than 99%. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 2100 mg/kg; Oral-mouse LD50: 1900 mg/kg |
| flammability hazard characteristics | open flame, heating, oxidant combustible; combustion emits toxic chloride smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; light loading and light unloading, separate from oxidant and acid storage |
| fire extinguishing agent | mist water, foam, sand, carbon dioxide, 1211 fire extinguishing agent |
| occupational standard | STEL 10 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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View History
1-CHLORO-4-METHYLBENZENE
BOC-(S)-3-AMINO-5-HEXYNOIC ACID
amfenac
2-Acetyl-6-methoxypyridine
2-Methyl-2-propanyl [(2S)-2-amino-2-phenylethyl]carbamate
6-Hydroxyhexan-6-olide
3-CHLORO-1,1-DIETHOXYPROPANE
Benz[d]indeno[4,5-b]pyran (8CI,9CI)
3-Amino-2-fluorotoluene, 2-Fluoro-m-toluidine
5-Pyrimidinecarboxylic acid, 2-amino-4-hydroxy-6-methyl- (6CI,8CI)
BOC-(S)-3-AMINO-5-HEXYNOIC ACID
amfenac
2-Acetyl-6-methoxypyridine
2-Methyl-2-propanyl [(2S)-2-amino-2-phenylethyl]carbamate
6-Hydroxyhexan-6-olide
3-CHLORO-1,1-DIETHOXYPROPANE
Benz[d]indeno[4,5-b]pyran (8CI,9CI)
3-Amino-2-fluorotoluene, 2-Fluoro-m-toluidine
5-Pyrimidinecarboxylic acid, 2-amino-4-hydroxy-6-methyl- (6CI,8CI)
Raw Materials for 1-CHLORO-4-METHYLBENZENE
Downstream Products for 1-CHLORO-4-METHYLBENZENE