Cholroacetone
Cholroacetone
CAS: 78-95-5
Molecular Formula: C3H5ClO
Cholroacetone - Names and Identifiers
Cholroacetone - Physico-chemical Properties
| Molecular Formula | C3H5ClO |
| Molar Mass | 92.52 |
| Density | 1.162 g/mL at 25 °C (lit.) |
| Melting Point | -44.5 °C |
| Boling Point | 120 °C (lit.) |
| Flash Point | 82°F |
| Water Solubility | 124 g/L (20 ºC) |
| Solubility | Chloroform, Methanol (Slightly) |
| Vapor Presure | 42 hPa (20 °C) |
| Appearance | Liquid |
| Specific Gravity | 1.162 |
| Color | Clear yellow to yellow-brown |
| Merck | 14,2114 |
| BRN | 605369 |
| PH | 4.3 (124g/l, H2O, 20°C) |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. May discolour on exposure to light. STENCH. |
| Sensitive | Lachrymatory |
| Explosive Limit | 3.4%(V) |
| Refractive Index | n20/D 1.432(lit.) |
| Physical and Chemical Properties | Colorless liquid, highly irritating odor. Tear-inducing. Soluble in 10 times the weight of water, and ethanol, ether, chloroform miscible. |
Cholroacetone - Risk and Safety
| Risk Codes | R10 - Flammable R24/25 - R26 - Very Toxic by inhalation R36/37/38 - Irritating to eyes, respiratory system and skin. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S16 - Keep away from sources of ignition. S23 - Do not breathe vapour. 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.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S28A - S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1695 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | UC0700000 |
| FLUKA BRAND F CODES | 8-19 |
| TSCA | Yes |
| HS Code | 29147000 |
| Hazard Note | Irritant/Flammable/Toxic/Lachrymatory |
| Hazard Class | 6.1 |
| Packing Group | I |
| Toxicity | LD50 (14 day) in mice, rats (mg/kg): 127, 100 orally; LC50 (1 hr) in rats (ppm): 262 by inhalation (Sargent) |
Cholroacetone - Nature
Open Data Verified Data
a colorless liquid with a strong irritating odor. Tear-inducing. The relative density was 1. 162. Melting Point -44.5 °c. Boiling Point 119 C (119.7 C). Soluble in 10 times the weight of water, and ethanol, ether, chloroform miscible. Refractive index (nDo) 4350. Flash point (Open Cup) 27 °c.
Last Update：2024-01-02 23:10:35
Cholroacetone - Preparation Method
Open Data Verified Data
- acetone and calcium carbonate are stirred to form a slurry, heated and refluxed, and chlorine gas is introduced after heating is stopped. After about 3-4 hours, water is added to dissolve the generated calcium chloride, and the reaction solution is divided into two layers, the oil layer was collected and then refined to obtain a finished product.
- the acetone non-chlorine chlorination method is obtained by using acetone as a raw material and chlorine gas generated by the decomposition of an oxidant such as potassium chlorate and hydrogen chloride.
- chlorinated cyanuric acid method is obtained by chlorination of acetone with trichlorocyanuric acid as halogenating agent and sulfuric acid aqueous solution as catalyst.
Last Update：2022-01-01 10:17:15
Cholroacetone - Use
Open Data Verified Data
used in organic synthesis, preparation of dyes, pesticides, drugs, spices, antioxidants, drying agents, ethylene type photosensitive resin.
Last Update：2022-01-01 10:17:15
Cholroacetone - Safety
Open Data Verified Data
It has strong irritation to biological tissues, and decomposes under the action of sunlight to generate a highly lacrimal gas, which has a lacrimal action at 0. 018mg/L. The human was subjected to an atmosphere of 0.1 L mg/L for less than 1 minute. Production equipment should be sealed, the operator needs to wear protective equipment, special attention should be paid to the protection of the eyes.
Package with 500ml glass bottle, external use wooden box, light handle with care. According to the provisions of the storage and transportation of toxic chemicals.
Last Update：2022-01-01 10:17:16
Cholroacetone - Reference Information
| LogP | 2.7 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | Formula C3H5ClO. Molecular weight 92.53. The pure product is a colorless liquid. Belonging to the fatty ketone compound, chloroacetone has a strong pungent odor and tear, which is mainly irritating to human eyes. When the concentration is 18 mg/m 3, it makes people tear, the concentration of 100 mg/m 3 when people can not tolerate. Used by the French Army during World War I. Color darkened and resinified under light. Melting Point -44.5 ℃, boiling point of 119 ℃(1.0 × 105Pa), relative density of 1.15. Miscible in alcohol, ether and chloroform, dissolved in 10 parts of water. With the evaporation of water vapor, with a variety of organic solvents to form two constant boiling compounds. With aluminum isopropoxide and isopropanol reaction for 15 hours, 83% is reduced, 7% dechlorination; And chlorine co-heating available trichloroacetone, pentachloroacetone or hexachloroacetone, the reaction with diazomethane in diethyl ether yields 1-methyl-1-chloromethyloxirane. preparation method: from acetone gas phase chlorination, or from diketene and chlorine reaction products with water azeotropic derived. uses: because the molecule contains active ketone groups and chlorine atoms, it is widely used in organic synthesis of raw materials, pharmaceuticals, dyes, enzyme activators, catalysts for the preparation of tetraethyl lead, tear gas, etc. |
| 1, 3-dichloroacetone | 1, 3-dichloroacetone is also called symmetrical dichloroacetone, bis (chloromethyl) methanone. Acicular or prismatic colorless crystals. Relative molecular mass 126.97. Relative density 1.3826 (46 degrees C). Melting point 45 °c. Boiling point of 173.4 deg C, 86~88 deg C (1.600 X 103Pa). Refractive index 1.4714(46 degrees C). Flash point 89 °c. Soluble in water, ethanol and ether. There are tears, skin irritation and decay. [use] Organic synthesis intermediates; Antifungal drug "Fluconazole" raw materials. [preparation method] (1) Direct chlorination of acetone to obtain 1, 3-dichloroacetone. However, the byproducts of monochloroacetone and trichloroacetone are produced, which reduces the yield and makes the separation difficult. (2) oxidation of 1, 3-dichloro-2-propanol, which is a commonly used method in industry. 1, 3-dichloro-2-propanol is added to the aqueous solution of sodium dichromate at low temperature, and sulfuric acid is slowly added dropwise under stirring, and the temperature is controlled not to exceed 26 ° C, not less than 24 °c. The reaction can be completed at 26 C for 6h, and the yield is 80%. If the reaction was carried out at 25 °c, 24H was required and the yield was 68%. After obtaining the crude product, the product can be obtained by washing with ice water and petroleum ether in turn and distilling under reduced pressure. The reaction temperature should not exceed 26 °c, otherwise the yield will drop significantly, and should not be lower than 24 °c, otherwise the reaction is too slow. The reaction time should not exceed 6h, otherwise the yield will be reduced. |
| Application | used in organic synthesis, preparation of drugs, pesticides, fragrances and dyes, chloroacetone also known as monochloroacetone, is a kind of organic synthesis raw materials, in the pesticide is a triazinone insecticide pyrazinone intermediates, in other aspects can be used in medicine, dyes, spices, antioxidants, drying agent, ethylene type photosensitive resin, production of color film coupling agents, etc. It is used as an intermediate in organic synthesis, and is used in the production of dyes, pesticides, pharmaceuticals, perfumes, antioxidants, desiccants, vinyl photosensitive resins, color film coupling agents, etc. |
| production method | 1. Acetone and calcium carbonate are stirred to form a slurry, heated and refluxed, and chlorine gas is introduced after heating is stopped. After about 3-4 hours, water is added to dissolve the generated calcium chloride, the reaction solution is divided into two layers, and the oil layer is collected, it is then refined to obtain a finished product. 2. Acetone non-chlorine chloride method acetone as raw material, by potassium chlorate and other oxidants and hydrogen chloride reaction decomposition of chlorine gas chlorination. Chlorinated cyanuric acid method is obtained by chlorination of acetone with trichlorocyanuric acid as halogenating agent and sulfuric acid aqueous solution as catalyst. This process is the process of early 90's abroad, the synthesis method is simple, high product content. There are many synthetic methods of chloroacetone, and acetone chlorination is a main method used in domestic production at present. Chloroacetone is obtained by chlorination of acetone in the presence of acid binding agent calcium carbonate. Reaction equation: ch3coc3 [Cl2 →[H2O,CaCO3] ch3och2cl acetone and calcium carbonate were added to the reactor according to a certain feed ratio, stirred to slurry, and heated to reflux. After stopping the heating, chlorine gas was introduced for about 3-4H, and water was added to dissolve the generated calcium chloride. The oil layer was collected, and then the chloroacetone product was obtained after washing, dehydration and rectification. |
| category | flammable liquid |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 100 mg/kg; Oral-mouse LD50: 127 mg/kg |
| explosive hazard characteristics | long storage days |
| flammability hazard characteristics | in case of heat, open flame, flammable oxidant; In case of thermal decomposition of toxic phosgene; decomposition of toxic chloride gases under sunlight |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Anti-Flame, anti-high temperature, and food raw materials, separate storage and transportation of oxidant |
| fire extinguishing agent | foam, sand, carbon dioxide |
| Occupational Standard | CL 1 PPM (skin) |
| spontaneous combustion temperature | 610°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:05:15
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