monochloromethyl cyanide
Chloroacetonitrile
CAS: 107-14-2
Molecular Formula: C2H2ClN
monochloromethyl cyanide - Names and Identifiers
| Name | Chloroacetonitrile |
| Synonyms | usafkf-5 USAF kf-5 oroacetonitriL CHLORACETONITRILE Chlorocyanomethane Chloroacetonitrile chlorocyanomethane 2-chloroacetonitrile chloromethyl cyanide chloroethane nitrile dichloroethanenitrile monochloroacetonitrile Monochloroacetonitrile monochloromethylcyanide monochloromethyl cyanide alpha-chloroacetonitrile Monochloromethyl cyanide |
| CAS | 107-14-2 |
| EINECS | 203-467-0 |
| InChI | InChI=1/C2H2ClN/c3-1-2-4/h1H2 |
| InChIKey | RENMDAKOXSCIGH-UHFFFAOYSA-N |
monochloromethyl cyanide - Physico-chemical Properties
| Molecular Formula | C2H2ClN |
| Molar Mass | 75.5 |
| Density | 1.193 g/mL at 25 °C (lit.) |
| Melting Point | 38℃ |
| Boling Point | 124-126 °C (lit.) |
| Flash Point | 118°F |
| Water Solubility | INSOLUBLE |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 1.78 psi ( 20 °C) |
| Vapor Density | 3 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Exposure Limit | NIOSH: IDLH 14 ppm(25 mg/m3) |
| BRN | 506028 |
| Storage Condition | 2-8°C |
| Stability | Stable, but reacts with water. Combustible. Incompatible with water, moisture, strong oxidizing agents, acids. |
| Refractive Index | n20/D 1.422(lit.) |
| Physical and Chemical Properties | Colorless transparent fuming liquid, irritating and irritating. melting point 38 ℃ boiling point 124~126 ℃ relative density 1.1930 refractive index 1.4202 flash point 47 ℃ solubility: soluble in alcohol and ether. |
| Use | Used as a pharmaceutical Intermediate |
monochloromethyl cyanide - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 2668 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | AL8225000 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Class | 6.1 |
| Packing Group | II |
monochloromethyl cyanide - Upstream Downstream Industry
| Downstream Products | Phentolamine Mesylate |
monochloromethyl cyanide - Nature
Open Data Verified Data
colorless transparent fuming liquid, irritating and irritating. Melting point 38. Boiling point 124~126 ℃,127 ℃ decomposition, relative density of 1. 1930. Refractive index 4202. Flash point 47. Soluble in ethanol and ether. Toxic.
Last Update：2024-01-02 23:10:35
monochloromethyl cyanide - Preparation Method
Open Data Verified Data
used as a raw material for organic synthesis and an analytical reagent.
Last Update：2022-01-01 10:36:54
monochloromethyl cyanide - Preparation Method
Open Data Verified Data
with ethanol, chloroacetic acid as raw material, by esterification, amidation, dehydration and. First, chloroacetic acid was added to ethanol, and concentrated sulfuric acid was added under stirring. After heating to reflux, the stirring was stopped, the reaction was carried out for 8-10 H, and the aqueous layer was separated by filtration and water washing to obtain ethyl chloroacetate. Then in
Ethyl chloroacetate was added to ammonia water at 0~2 ℃, and the mixture was stirred for 15 min. After cooling, standing, filtering and drying, chloroacetamide was obtained. Finally, phosphorus pentoxide was added into chloroacetamide and heated for dehydration reaction to obtain crude chloroacetonitrile, which was then dried with phosphorus pentoxide and magnesium oxide and fractionated under reduced pressure to obtain a finished product.
Last Update：2024-01-02 23:10:35
monochloromethyl cyanide - Safety
Open Data Verified Data
This product is toxic and has the effect of stimulating the tear. It should be stored and transported under the hazard Code No. 84045.
Last Update：2022-01-01 10:36:55
monochloromethyl cyanide - Reference Information
| LogP | 0.45 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| (IARC) carcinogen classification | 3 (Vol. 52, 71) 1999 |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Product characteristics | chloroacetonitrile is also known as "methyl chloride cyanide". Chemical formula ClCH2CN. Molecular weight 75.50. Colorless fuming liquid. The melting point of 38 deg C, the boiling point of 126~127 deg C (decomposition), 30~32 deg C (2.0kPa), the relative density of 1.1930, the refractive index of 1.420225. Soluble in ether, alcohol and hydrocarbons, insoluble in water. Extremely toxic. It can form adducts with aluminum trichloride, and can react with various reagents such as trimethyl isophorol, methoxyacetophenone, Grignard reagent, anhydrous hydrogen chloride and the like. It can be obtained by dehydration of chloroacetamide under the action of phosphorus pentoxide, or by reaction of excess acetonitrile with chlorine at 460 ° C., and by introducing ammonia gas into diethyl ether solution of dichloroacetylene. Chloroacetonitrile may be used as the fumigant. fumigant refers to a class of pesticides that use vapors generated during volatilization to poison harmful organisms. In the form of gaseous molecules into the body of harmful organisms and poisoning, there are different from the gasification of liquid, solid or compressed gas. The dosage used is calculated according to the space volume of the fumigation site (unit: g/m 3), and the concentration is calculated according to the fumigation time, the degree of sealing of the fumigation site, the amount of fumigant to be fumigant and the adsorption capacity of the fumigant vapor are determined. It should be applied under the condition that the warehouse, curtain, house, carriage and cabin can be closed or close to the closed condition, and under the condition that a large number of fumigated objects are concentrated, can effectively eliminate hidden pests or germs. The vapor of the fumigant generally enters the respiratory system directly through the epidermis or valve of the pest, thus penetrating into the blood to poison the pest. Its insecticidal action is generally believed to lie in the chemical action on the enzyme. Such as methyl bromide can be combined with the hydrogen sulfate group, so that a variety of enzymes in the body of the pest to produce reverse and irreversible inhibition. Phosphine inhibits the animal's central nervous system, stimulating the lungs to cause edema, resulting in heart swelling syndrome. Trichloroethane, dibromoethane, carbon tetrachloride and other fumigants are mainly anesthetics, carbon dioxide is mainly from the role of suffocation. |
| Use | is used as a raw material for organic synthesis and an analytical reagent. used as a pharmaceutical intermediate used as a pesticide and an intermediate in organic synthesis used in organic synthesis and as an analytical reagent. |
| production method | by chloroacetic acid and ethanol reaction to generate ethyl chloroacetate, and then with ammonia reaction to generate chloroacetamide, and finally dehydration obtained: chloroacetic acid was added to ethanol, and concentrated sulfuric acid was added under stirring. After heating to reflux, the stirring was stopped, and the reaction was carried out for 8-10 hours. This was added to ammonia water at 0-2 ° C., the temperature not exceeding 15 ° C., stirred for 10-15min after the addition, cooled, allowed to stand, filtered, and dried to obtain chloroacetamide. Then, phosphorus pentoxide was added to the chloroacetamide, and the mixture was heated for dehydration. The chloroacetonitrile was distilled off while heating, and finally the chloroacetonitrile was distilled off under reduced pressure. The obtained crude product was dried with phosphorus pentoxide and magnesium oxide, and fractionated under reduced pressure to obtain a finished product. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 220 mg/kg; Oral-mouse LD50: 139 mg/kg |
| stimulation data | Skin-rabbits 14 mg/24 h mild; eye-rabbit 20 mg/24 h moderate |
| flammability hazard characteristics | open flame flammability; Thermal decomposition of toxic nitrogen compounds, chloride and cyanide gases |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage of food additives |
| extinguishing agent | dry powder, dry stone powder, carbon dioxide, sand. The acid-base extinguishing agent is not allowed. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentrations | 14 ppm |
Last Update：2024-04-09 15:16:45
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Downstream Products for monochloromethyl cyanide