1-Methyl-2-chlorobenzene
2-Chlorotoluene
CAS: 95-49-8
Molecular Formula: C7H7Cl
1-Methyl-2-chlorobenzene - Names and Identifiers
1-Methyl-2-chlorobenzene - Physico-chemical Properties
| Molecular Formula | C7H7Cl |
| Molar Mass | 126.58 |
| Density | 1.083 g/mL at 25 °C (lit.) |
| Melting Point | -36 °C (lit.) |
| Boling Point | 157-159 °C (lit.) |
| Flash Point | 117°F |
| Water Solubility | slightly soluble |
| Solubility | H2O: slightly soluble0.047g/L at 20°C |
| Vapor Presure | 10 mm Hg ( 43 °C) |
| Vapor Density | 4.38 (vs air) |
| Appearance | Liquid |
| Color | Clear |
| Exposure Limit | ACGIH: TWA 50 ppmNIOSH: TWA 50 ppm(250 mg/m3); STEL 75 ppm(375 mg/m3) |
| Merck | 14,2171 |
| BRN | 1904175 |
| Storage Condition | 0-6°C |
| Explosive Limit | 1.0-12.6%(V) |
| Refractive Index | n20/D 1.525(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. melting point -35.45 ℃ boiling point 158.5 ℃ relative density 1.0826 refractive index 1.5268 flash point 52.2 ℃ solubility slightly soluble in water, soluble in alcohol, ether, benzene and chloroform. |
| Use | For the manufacture of pharmaceutical, pesticide products |
1-Methyl-2-chlorobenzene - 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 |
| 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 | XS9000000 |
| TSCA | Yes |
| HS Code | 29036990 |
| Hazard Note | Irritant/Flammable |
| Hazard Class | 3 |
| Packing Group | III |
1-Methyl-2-chlorobenzene - Nature
Open Data Verified Data
colorless liquid. Melting Point -35. 45 °c. Boiling point 158.5 °c. The relative density was 1. 0826. Refractive index 1.5268. Flash point (Open Cup) 52.2 °c. Ignition point> 500 °c. Slightly soluble in water, soluble in alcohol, ether, benzene, chloroform, acetone, carbon tetrachloride and heptane, with water vapor volatilization.
Last Update：2024-01-02 23:10:35
1-Methyl-2-chlorobenzene - Preparation Method
Open Data Verified Data
From o-toluidine as raw material, by diazotization and then with the role of cuprous chloride derived. First, hydrochloric acid was added to O-toluidine, sodium nitrite solution was added, and the diazonium salt was obtained by reaction at 0~5 ℃. Then the cuprous chloride solution is added to p-toluidine diazonium salt, and the mixing temperature is not more than 25 ℃. After stirring, it is left overnight, and the crude product is obtained by distillation, the 157-160 °c fraction was collected as the finished product. In addition, toluene by aromatic ring chlorination, separation can also be prepared.
Last Update：2022-01-01 10:40:46
1-Methyl-2-chlorobenzene - Use
Open Data Verified Data
organic synthesis of raw materials, solvents, also used in the system of dyes, medicine, etc.
Last Update：2022-01-01 10:40:44
1-Methyl-2-chlorobenzene - Safety
Open Data Verified Data
- This product is toxic; It can volatilize with water vapor. The operation site should be well ventilated, the equipment should be sealed, and the operator should wear protective equipment. See p-chlorotoluene,
- store in a cool, ventilated warehouse, away from heat source, fire, and oxidant, food additives stored separately, light when handling, light unloading, to prevent packaging damage. Iron drum packaging. 200kg per barrel. According to the provisions of the storage and transportation of toxic chemicals.
Last Update：2022-01-01 10:40:48
1-Methyl-2-chlorobenzene - Reference Information
| LogP | 3.42 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| preparation | a method for preparing O-chlorotoluene by selective chlorination of toluene, characterized in that it is carried out according to the following steps: (1) preparation of ionic liquid [Et3NH]Cl-nCuCl: under N2 protection, 2.7mol of hydrochloric acid in a constant pressure funnel was slowly added dropwise to a 500ml three-necked flask with a condenser tube containing 2.5mol of triethylamine and mixed with stirring, A thick milky white viscous liquid was attached to the inner wall of the flask. The three-necked flask was placed in a water bath at 90 ° C for half an hour, poured into a beaker while hot, and cooled to room temperature; Under ice bath conditions, an appropriate amount of water was added to the beaker containing the reaction product, and after the product was condensed and crystallized out, the product was obtained by Suction filtration under reduced pressure. The product was washed twice with ethanol. Storage was performed under a dry N2 atmosphere. 27.53g(0.2mol) of intermediate and 19.80g(0.2mol) of curcumin were added to a three-necked flask under N2 atmosphere, Stir to disperse evenly and react at 110 °c for 2H; Change the amount of CuCl to 39.60g(0.4mol) and 59.40g(0.6mol) to prepare [Et3NH]Cl-2CuCl, [Et3NH]Cl-3CuCl acidic ionic liquid. (2) toluene chlorination reaction step: adding a certain amount of ionic liquid catalyst [Et3NH]Cl-nCuCl,n = 1, 2 or 3 to toluene, stirring to disperse uniformly; then, Cl2 dried by concentrated sulfuric acid is introduced into the system, and O-chlorotoluene is obtained by reaction at a certain temperature for a certain time. After the tail gas is condensed, the unreacted Cl2 is removed by absorption with NaOH solution; the reaction was performed in the dark. After the completion of the reaction, the reaction product and the ionic liquid catalyst are separated by a separatory funnel, and the ionic liquid can be reused. |
| Use | for organic synthesis, for the preparation of O-chlorobenzonitrile, O-chloroaniline, O-chlorobenzoyl chloride, O-chlorobenzaldehyde, etc. For the manufacture of pharmaceuticals, pesticide Products used as solvent and dye intermediates solvent, dye and pharmaceutical intermediates for other organic synthesis. solvent. Dyes, pharmaceuticals, pesticides and other organic synthesis intermediates. Such as medicine "clotrimazole", pesticide "urea", "dead mites net", dye "CI. Acid brilliant blue" and other raw materials, also used as rubber, synthetic resin solvent. |
| production method | is obtained by diazotization and substitution of o-toluidine. O-toluidine, hydrochloric acid and water were added to the reaction Pan, heated to 50 °c with stirring for 0.5h, cooled to 0-5 °c, and sodium nitrite solution was added dropwise until the potassium iodide starch test paper turned blue to obtain diazonium salt solution. In addition, water, copper sulfate and sodium chloride were stirred evenly, heated to 80 ℃ for dissolution, cooled to 40 ℃, sodium sulfite solution was added dropwise, stirred for 0.5h, cooled and allowed to stand. The upper layer of wastewater was separated. Dissolve the precipitated cuprous chloride with hydrochloric acid, slowly add the above diazonium salt solution at a temperature of not more than 25 ℃, stir for 0.5h, stand for stratification, discard the water layer, wash the crude O-chlorotoluene with acid-base, and distill at atmospheric pressure, the 157-160 °c fraction was collected to obtain the finished product. In addition, toluene by aromatic ring chlorination, separation can also be prepared. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: >1600 mg/kg |
| flammability hazard characteristics | combustible flame; High heat release toxic chloride gas; Hydrolysis to form hydrochloric acid |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from oxidants and food additives |
| fire extinguishing agent | water, foam, carbon dioxide mist |
| Occupational Standard | TLV-TWA 50 PPM (250 mg/m3); Tel 75 PPM (375 mg/m3) |
| spontaneous combustion temperature | 600°C |
| 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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