Trichloroacetic chloride
trichloroacetyl chloride
CAS: 76-02-8
Molecular Formula: C2Cl4O
Trichloroacetic chloride - Names and Identifiers
Trichloroacetic chloride - Physico-chemical Properties
| Molecular Formula | C2Cl4O |
| Molar Mass | 181.83 |
| Density | 1.629g/mLat 25°C(lit.) |
| Melting Point | -57 °C |
| Boling Point | 114-116°C(lit.) |
| Flash Point | 100 °C |
| Water Solubility | reacts violently |
| Solubility | Chloroform (Soluble), Ethyl Acetate (Soluble) |
| Vapor Presure | 16 mm Hg ( 20 °C) |
| Appearance | Oil |
| Color | Colourless |
| BRN | 774120 |
| Storage Condition | Refrigerator, Under inert atmosphere |
| Stability | Stable. Reacts violently with water. Incompatible with alcohols, oxidizing agents, strong bases. |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.470(lit.) |
| Physical and Chemical Properties | Colorless irritating liquid. |
Trichloroacetic chloride - Risk and Safety
| Risk Codes | R14 - Reacts violently with water R22 - Harmful if swallowed R26 - Very Toxic by inhalation R34 - Causes burns R35 - Causes severe burns R29 - Contact with water liberates toxic gas |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S8 - Keep container dry. S28A - S23 - Do not breathe vapour. |
| UN IDs | UN 2442 8/PG 2 |
| WGK Germany | 3 |
| RTECS | AO7140000 |
| FLUKA BRAND F CODES | 19 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Note | Very Toxic |
| Hazard Class | 8 |
| Packing Group | II |
Trichloroacetic chloride - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | used as an important raw material in organic synthesis, pesticide chlorpyrifos, methyl chlorpyrifos and herbicides important intermediates trichloroacetyl chloride in the production of pesticides used in the synthesis of organophosphorus insecticides chlorpyrifos, chlorpyrifos methyl intermediate sodium trichloropyridinol. widely used in the synthesis of broad-spectrum, high-efficiency insecticidal, acaricide chlorpyrifos, chlorpyrifos methyl and important intermediates of herbicides. acetylation of esters. |
| production method | There are many synthetic methods of trichloroacetyl chloride, considering the source of raw materials, cost, process, etc, commercially, a route for the acylation reaction of trichloroacetic acid and thionyl chloride in the presence of a catalyst is employed. In a 500L enamel reactor, add about 400kg of molten trichloroacetic acid and an appropriate amount of catalyst, raise the temperature to 80~100 ℃ with stirring, and slowly add 350kg of thionyl chloride to generate HCl and SO2 gas, absorption with water and lye, respectively. After the addition, reflux for 4H, the generated trichloroacetyl chloride is distilled out, and the light yellow fraction at 117-120 ° C. Is the trichloroacetyl chloride product with a content of more than 95%. Due to the chemical nature of trichloroacetyl chloride active, prone to hydrolysis and thermal decomposition and other side reactions, so the reaction temperature is less than or equal to 100 deg C and anhydrous conditions. The compound catalyst can significantly accelerate the reaction rate and improve the yield of acylation. In addition, since hydrogen chloride and sulfur dioxide by-products carry out a part of the thionyl chloride, the thionyl chloride needs to be appropriately excessive. In view of reducing environmental pollution, trichloroacetyl chloride can also be synthesized by direct oxidation of tetrachloroethylene as raw material under ultraviolet catalysis. CCl2=CCl2[O2, UV]→CCl3COCl |
| category | corrosive article |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 600 mg/kg; Inhalation-mouse LC50: 445 mg/m3 |
| flammability hazard characteristics | flammable; Toxic hydrogen chloride gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from alkali and oxidant |
| extinguishing agent | Sand, dry powder, carbon dioxide |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:11
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