2-氯三氯甲苯
2-Chlorotrichlorotoluene
CAS: 2136-89-2
Molecular Formula: C7H4Cl4
2-氯三氯甲苯 - Names and Identifiers
| Name | 2-Chlorotrichlorotoluene |
| Synonyms | OCTC TIMTEC-BB SBB007588 2-AMINO CHLORO PHENOL 2-CHLOROBENZOTRICHLORIDE 2-Chlorobenzotrichloride 2-Chlorotrichlorotoluene O-Chlorotrichlorotoluene O-CHLOROBENZOTRICHLORIDE 2-CHLOROTRICHLOROTOLUENE o-chloro-trichlorotoluene 1-CHLORO-2-(TRICHLOROMETHYL)BENZENE 1-Chloro-2-(trichloromethyl)benzene ALPHA,ALPHA,ALPHA,2-TETRACHLOROTOLUENE alpha,alpha,alpha,2-Tetrachlorotoluene |
| CAS | 2136-89-2 |
| EINECS | 218-377-7 |
| InChI | InChI=1/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H |
| InChIKey | MFHPYLFZSCSNST-UHFFFAOYSA-N |
2-氯三氯甲苯 - Physico-chemical Properties
| Molecular Formula | C7H4Cl4 |
| Molar Mass | 229.92 |
| Density | 1.508 g/mL at 25 °C (lit.) |
| Melting Point | 29-31 °C (lit.) |
| Boling Point | 260-264 °C (lit.) |
| Flash Point | 209°F |
| Solubility | Chloroform, Ethyl Acetate (Slightly) |
| Vapor Presure | 0.5-10.8Pa at 20-50℃ |
| Appearance | Solid |
| Color | White to Off-White Low-Melting |
| BRN | 2046639 |
| Storage Condition | Refrigerator |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.5836 |
| Physical and Chemical Properties | Dark brown oily substance with pungent odor. melting point 30 ℃ boiling point 264.3 ℃ relative density 1.5187 refractive index 1.5836 solubility insoluble in water, soluble in alcohol, benzene, ethers and other organic solvents. |
| Use | Mainly used for the intermediate of clotrimazole and the production of O-chlorobenzoyl chloride |
2-氯三氯甲苯 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36 - Irritating to the eyes R38 - Irritating to the skin R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| RTECS | SJ5700000 |
| TSCA | Yes |
| HS Code | 29039990 |
| Hazard Class | 8 |
| Packing Group | II |
2-氯三氯甲苯 - Upstream Downstream Industry
| Downstream Products | clotrimazole crystalline |
2-氯三氯甲苯 - Nature
Open Data Verified Data
A dark brown oily substance that absorbs moisture in the air and has a pungent odor. Melting point 30 °c. Boiling point 264.3 °c. Relative density 1 · 5187. Refractive index 5836. Insoluble in water, soluble in alcohol, benzene, ether and other organic solvents. Unstable in the air, hygroscopic into O-chlorobenzoic acid, three chlorine activity. Can be condensed with other groups.
Last Update：2024-01-02 23:10:35
2-氯三氯甲苯 - Preparation Method
Open Data Verified Data
There are two synthetic methods.
- The O-chlorotoluene method is prepared by using O-chlorotoluene as a raw material and chlorine gas in the presence of phosphorus trichloride. Firstly, O-chlorotoluene is added into the bottle, then 3% PCl3 is added, under boiling at 90 ℃, chlorine is started, and light is used, and the weight gain of chlorine absorption is 85% ~ 90%, the temperature finally reached 210-220 °c. Reaction about 16h, the relative density reached 1.53 as the end point, after the discharge of chlorine, hydrochloric acid gas, vacuum distillation, collecting 126~140 ℃( 2399. 8Pa) fraction for the finished product, the yield was 74%.
- toluene chlorination method toluene and titanium tetrachloride were cooled to about 10 ° C., chlorine was started, and chlorination was carried out, and the reaction temperature was controlled at 15 to 20 ° C. As shown in Fig. The reaction solution was washed with water to pH = 6-7, dried with anhydrous CaCl2, and the product was obtained by distillation.
Last Update：2022-01-01 10:41:29
2-氯三氯甲苯 - Use
Open Data Verified Data
raw materials for organic synthesis. Used as a dye intermediate. The pharmaceutical industry is used for the manufacture of clotrimazole and the like.
Last Update：2022-01-01 10:41:29
2-氯三氯甲苯 - Safety
Open Data Verified Data
microparticle mutation test (Salmonella typhimurium) 80umol/(1.2 H). See dichlorotoluene for protection.
Last Update：2022-01-01 10:41:30
2-氯三氯甲苯 - Reference Information
| LogP | 4.54 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) |
| Application | It is mainly used for the intermediate of clotrimazole and the production of O-chlorobenzoyl chloride organic synthesis raw materials. Used as a dye intermediate. The pharmaceutical industry is used for the manufacture of clotrimazole and the like. |
| production method | 1. O-chlorotoluene method O-chlorotoluene as raw material, in the presence of phosphorus trichloride, through chlorine gas. Add O-chlorotoluene to the reaction pan, add 3% of phosphorus trichloride, boil at 90 ℃, enter dry chlorine, react with light and chlorine for 16h, absorb chlorine and increase weight by 85-90%, the reaction end point is when the reaction temperature reaches 210-220 ℃ and the density of the reaction liquid phase reaches 1.53(20 ℃). After discharging chlorine and hydrochloric acid gas, distillation was performed under reduced pressure to collect a 135-137 ° C. (2kPa) fraction to obtain O-chloro-trichlorotoluene. The chlorination reaction may also be carried out in the presence of phosphorus chloride. The yield was 74%. 2. Toluene chlorination method toluene and titanium tetrachloride are cooled to about 10 °c to start chlorine, and the reaction temperature is controlled at 15-20 °c. Chlorine was passed until the reaction liquid phase reached a density of 1.078-1.082, the reaction solution was washed with water to pH 6-7, dried with anhydrous calcium chloride, and then the fraction at 156-160 ° C. Was distilled to obtain O-chlorotoluene (containing p-chlorotoluene) with a content of about 77%. Then according to the above method, add phosphorus pentachloride chlorine gas chlorination, can also prepare the product. |
Last Update：2024-04-10 22:29:15
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