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Send EmailName | Acetonitrile |
Synonyms | AN Acetonitrile cyanomethane Methyl cyanide R5, ACETONITRILE ACETONITRILE GRADIENT Acetonitrile solution MOBILE PHASE ACETONITRILE acetonitrile for uv-spectroscopy phosphoramidite diluent for pharmacia acetonitrile absolute over molecular sieve (H2O) |
CAS | 75-05-8 |
EINECS | 200-835-2 |
InChI | InChI=1/C2H3N/c1-2-3/h1H3 |
Molecular Formula | C2H3N |
Molar Mass | 41.05 |
Density | 0.7857 |
Melting Point | -46℃ |
Boling Point | 81-82℃ |
Flash Point | 2℃ |
Water Solubility | miscible |
Vapor Presure | 72.8 mm Hg ( 20 °C) |
Vapor Density | 1.41 (vs air) |
Appearance | Morphological liquid, color <10(APHA) |
pKa | 25(at 25℃) |
Storage Condition | Store at +5°C to +30°C. |
Stability | Stability Unstable. Incompatible with alkali metals, acids, bases, reducing agents and oxidizing agents. Highly flammable. |
Refractive Index | 1.343 |
Physical and Chemical Properties |
density 0.7857 |
Use | For the extraction of nitrile rubber monomer, pharmaceutical and carbon |
Hazard Symbols | F - Flammable Xn - Harmful |
Risk Codes | R11 - Highly Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36 - Irritating to the eyes |
Safety Description | S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. |
UN IDs | UN 1648 |
WGK Germany | 2 |
RTECS | AL7700000 |
FLUKA BRAND F CODES | 9 |
TSCA | Yes |
HS Code | 29269095 |
Hazard Class | 3 |
Packing Group | II |
Toxicity | LD50 orally in rats: 3800 mg/kg (Smyth) |
Raw Materials | Acrylonitrile Ammonia |
Downstream Products | Acetamidine hydrochloride Ethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate |
colorless transparent liquid. It is miscible with water, diethyl ether, methanol, acetone, chloroform, carbon tetrachloride, vinyl chloride, methyl acetate, ethyl acetate, acetamide solution and many unsaturated hydrocarbons, and is not miscible with saturated hydrocarbons. Can dissolve some inorganic salts, such as silver nitrate, lithium nitrate and magnesium bromide. It can form an azeotropic mixture with water (water content 16%), and the azeotropic point is 76. Flammable, its vapor and air can form an explosive mixture, in the case of open flame, high heat or contact with the oxidant, there is a risk of combustion explosion. A strong reaction with an oxidizing agent can occur. With sulfuric acid, fuming sulfuric acid, chlorosulfonic acid, perchlorate reaction intense.
Use
standard substance for chromatographic analysis. It can be used as a solvent for high pressure liquid chromatography (HPLC) and a stationary liquid for gas chromatography. Solvents for most inorganic compounds, spectrophotometric determination and non-aqueous titration solvents. Determination of carboxyl group as a diluent. Recrystallization of steroids, extraction of fatty acids, etc.
Safety
rats were orally administered with LD50:3800mg/kg. Keep away from fire, heat source, flammable and combustible materials, and prevent direct sunlight. Avoid mixing with oxidants, reductants, acids and alkalis. Warehouse temperature should not exceed 30 ℃.
Uses and synthesis methods
Production method
there are many production methods of acetonitrile, among which industrial production mainly includes acetic acid ammoniation, acetylene ammoniation and propylene ammoxidation by-product. 1. Acetic acid ammonification method uses acetic acid and ammonia as raw materials, under the action of aluminum oxide catalyst, at 360-420 ℃, the reaction is carried out, acetonitrile is synthesized in one step, and the reaction liquid is absorbed and rectified to obtain the finished product. Raw material consumption quota: acetic acid (98%)1763 kg/t, liquid ammonia (99.5%)691 kg/t. 2. Acetylene ammonification method uses acetylene and ammonia as raw materials, aluminum oxide catalyst, and one-step reaction to synthesize acetonitrile at 500-600 ℃. Raw material consumption quota: acetylene 10231 m3, liquid ammonia (99.4%)1007 kg/t. 3. Propylene ammoxidation by-product method uses propylene, ammonia and air as raw materials to synthesize acrylonitrile through a catalyst, and at the same time by-product acetonitrile. Each ton of acrylonitrile can produce 25-100kg of acetonitrile by-product. 4. It is obtained by dehydration of acetamide and phosphorus pentoxide. 5. It is obtained by the reaction of dimethyl sulfate and sodium cyanide.
Acetonitrile is usually the by-product of acrylonitrile prepared by ammoxidation method. It can also be synthesized by acetic acid ammonification method, using alumina as catalyst, and reacting at 360 ℃ in one step. Reaction equation: CH3COOH + NH3[Al2O3]& rarr;CH3CN + 2H2O
Category
Flammable liquids
Toxicity grading
Highly toxic
Acute toxicity
oral-rat LD50: 2730 mg/kg; Oral-mouse LD50: 269 mg/kg
Stimulation data
skin-rabbit 500 mg mild; eyes-rabbit 79 mg/24 hours moderate
Explosive hazard characteristics
Blowing with air
flammability hazard characteristics
Flammable in case of open flame, high temperature and oxidant; heat decomposition releases highly toxic cyanide and nitrogen oxide smoke
storage and transportation characteristics
The warehouse is ventilated and dry at low temperature; stored separately from oxidants and acids
Fire extinguishing agent
Dry powder, dry sand, dry stone powder, carbon dioxide, foam